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

Systemtic Name: methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C12H13N3O2S/c1-15-8-13-14-12(15)18-7-9-3-5-10(6-4-9)11(16)17-2/h3-6,8H,7H2,1-2H3