| CID | 1199906 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 698 |
| pubchem_cactvs_hbond_acceptor | 6 |
| pubchem_cactvs_hbond_donor | 1 |
| pubchem_cactvs_rotatable_bond | 8 |
| pubchem_cactvs_subskeys | AAADceB7sABgAAAAAAAAAAAAAAAAAWLEgAAwYAAAAAAAAAAB/AAAHgQYAAAADAyl3wKz15fMFEiuA69y9ASS+KtnKrgdiDW3bNiObrLkvbuXOSjk3BP46aeY0QIOCAAAAAAAEAAQAAAAAAAgAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 2-[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(p-tolyl)thiazole-4-carboxamide |
| pubchem_iupac_cas_name | 2-[[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(p-tolyl)-4-thiazolecarboxamide |
| pubchem_iupac_systematic_name | 2-[[5-(furan-2-yl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide |
| pubchem_iupac_traditional_name | 2-[[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(p-tolyl)thiazole-4-carboxamide |
| pubchem_nist_inchi | InChI=1S/C25H21N5O3S2/c1-16-9-11-17(12-10-16)26-24(31)18-14-34-22(27-18)15-35-25-29-28-23(21-8-5-13-33-21)30(25)19-6-3-4-7-20(19)32-2/h3-14H,15H2,1-2H3,(H,26,31) |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 503.108581 |
| pubchem_molecular_formula | C25H21N5O3S2 |
| pubchem_molecular_weight | 503.59594 |
| pubchem_openeye_can_smiles | CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4OC)C5=CC=CO5 |
| pubchem_openeye_iso_smiles | CC1=CC=C(C=C1)NC(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4OC)C5=CC=CO5 |
| pubchem_cactvs_tpsa | 95.1 |
| pubchem_monoisotopic_weight | 503.108581 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 35 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 0 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 2 |
| pubchem_bondannotations | 10 22 8
10 23 8
11 14 8
11 16 8
14 18 8
15 21 8
16 19 8
18 20 8
19 20 8
2 22 8
2 31 8
21 25 8
23 31 8
24 29 8
24 30 8
25 26 8
27 32 8
27 33 8
29 32 8
3 15 8
3 26 8
30 33 8
6 12 8
6 13 8
7 12 8
7 8 8
8 1 |
