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

Systemtic Name: 4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C18H11N4O2S- MolecularWeight: 347.37054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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