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

Systemtic Name: methyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-21-16(14-8-4-3-5-9-14)19-20-18(21)24-12-13-7-6-10-15(11-13)17(22)23-2/h3-11H,12H2,1-2H3