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

Systemtic Name: methyl 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C15H17N3O2S/c1-18-13(11-7-8-11)16-17-15(18)21-9-10-3-5-12(6-4-10)14(19)20-2/h3-6,11H,7-9H2,1-2H3