4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C15H11N4O2S- MolecularWeight: 311.33844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC(=N2)C3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC(=N2)C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c20-14(21)12-3-1-10(2-4-12)9-22-15-17-13(18-19-15)11-5-7-16-8-6-11/h1-8H,9H2,(H,20,21)(H,17,18,19)/p-1