methyl 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-3-22-17(15-9-5-4-6-10-15)20-21-19(22)25-13-14-8-7-11-16(12-14)18(23)24-2/h4-12H,3,13H2,1-2H3