2-[(Z)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid

Systemtic Name: 2-[(Z)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 2-[(Z)-[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid CAS Name: 2-[(Z)-[3-(2-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid IUPAC Name: 2-[(Z)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 2-[(Z)-[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid Formula: C15H11N5O2S MolecularWeight: 325.34514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=N\N2C(=NNC2=S)C3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C15H11N5O2S/c21-14(22)11-6-2-1-5-10(11)9-17-20-13(18-19-15(20)23)12-7-3-4-8-16-12/h1-9H,(H,19,23)(H,21,22)/b17-9-