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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-cyclohexylethanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-cyclohexylacetate Traditional Name: 2-cyclohexylacetic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)CC4CCCCC4

InChI

InChI=1S/C25H28N2O2S/c1-18-13-15-22(16-14-18)30-24-19(2)26-27(21-11-7-4-8-12-21)25(24)29-23(28)17-20-9-5-3-6-10-20/h4,7-8,11-16,20H,3,5-6,9-10,17H2,1-2H3