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

Systemtic Name: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C14H9N4O2S- MolecularWeight: 297.31186

Click to see the large picture

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)/p-1