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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)N2C(=NNC2=S)C3=NC4=CC=CC=C4C=C3

InChI

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