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

Systemtic Name: methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C18H23N3O2S MolecularWeight: 345.45912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C18H23N3O2S/c1-13-19-20-18(21(13)16-9-4-3-5-10-16)24-12-14-7-6-8-15(11-14)17(22)23-2/h6-8,11,16H,3-5,9-10,12H2,1-2H3