3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C11H10N3O2S- MolecularWeight: 248.281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C11H11N3O2S/c1-14-7-12-13-11(14)17-6-8-3-2-4-9(5-8)10(15)16/h2-5,7H,6H2,1H3,(H,15,16)/p-1