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

Systemtic Name: 3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 3-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 3-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 3-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 3-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C18H12N4O2S MolecularWeight: 348.37848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C3=NNC(=S)N3C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C18H12N4O2S/c23-17(24)12-5-3-6-13(10-12)22-16(20-21-18(22)25)15-9-8-11-4-1-2-7-14(11)19-15/h1-10H,(H,21,25)(H,23,24)