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

Systemtic Name: methyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C17H19N3O2S/c1-22-16(21)13-4-2-3-11(9-13)10-23-17-19-18-15(12-5-6-12)20(17)14-7-8-14/h2-4,9,12,14H,5-8,10H2,1H3