3-[(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Openeye Name: 3-[[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid CAS Name: 3-[[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoic acid IUPAC Name: 3-[(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Traditional Name: 3-[[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoic acid Formula: C19H14N4O2S MolecularWeight: 362.40506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H14N4O2S/c24-18(25)14-6-3-4-12(10-14)11-23-17(21-22-19(23)26)16-9-8-13-5-1-2-7-15(13)20-16/h1-10H,11H2,(H,22,26)(H,24,25)