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

Systemtic Name: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid CAS Name: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoic acid Formula: C14H10N4O2S MolecularWeight: 298.3198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O2S/c19-13(20)10-2-1-3-11(8-10)18-12(16-17-14(18)21)9-4-6-15-7-5-9/h1-8H,(H,17,21)(H,19,20)