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

Systemtic Name: 2-chloranyl-5-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 2-chloro-5-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-chloro-5-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-chloro-5-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 2-chloro-5-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C18H11ClN4O2S MolecularWeight: 382.82354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClN4O2S/c19-13-7-6-11(9-12(13)17(24)25)23-16(21-22-18(23)26)15-8-5-10-3-1-2-4-14(10)20-15/h1-9H,(H,22,26)(H,24,25)