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

Systemtic Name: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid CAS Name: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-[3-(4-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(=CC=C1C=NN2C(=NNC2=S)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

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

InChI

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