2-phenyl-5-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzoic acid

Systemtic Name: 2-phenyl-5-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzoic acid Openeye Name: 2-phenyl-5-[(3-thioxo-1H-1,2,4-triazol-2-yl)methyl]benzoic acid CAS Name: 2-phenyl-5-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzoic acid IUPAC Name: 2-phenyl-5-[(3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]benzoic acid Traditional Name: 2-phenyl-5-[(3-thioxo-1H-1,2,4-triazol-2-yl)methyl]benzoic acid Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CN3C(=S)N=CN3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CN3C(=S)N=CN3)C(=O)O

InChI

InChI=1S/C16H13N3O2S/c20-15(21)14-8-11(9-19-16(22)17-10-18-19)6-7-13(14)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,20,21)(H,17,18,22)