[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-cyclohexylpropanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-cyclohexylpropanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C26H30N2O2S MolecularWeight: 434.5936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CCC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CCC4CCCCC4

InChI

InChI=1S/C26H30N2O2S/c1-19-13-16-23(17-14-19)31-25-20(2)27-28(22-11-7-4-8-12-22)26(25)30-24(29)18-15-21-9-5-3-6-10-21/h4,7-8,11-14,16-17,21H,3,5-6,9-10,15,18H2,1-2H3