2-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanoate

Systemtic Name: 2-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]ethanoate Openeye Name: 2-[4-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetate CAS Name: 2-[4-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]acetate IUPAC Name: 2-[4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]acetate Traditional Name: 2-[4-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]acetate Formula: C19H13N4O2S- MolecularWeight: 361.39712

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)CC(=O)[O-]

Isomeric SMILES

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

InChI

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