(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-cyclohexylethanoate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-cyclohexylethanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 2-cyclohexylacetate CAS Name: 2-cyclohexylacetic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 2-cyclohexylacetate Traditional Name: 2-cyclohexylacetic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N2O2S/c1-18-23(29-21-15-9-4-10-16-21)24(26(25-18)20-13-7-3-8-14-20)28-22(27)17-19-11-5-2-6-12-19/h3-4,7-10,13-16,19H,2,5-6,11-12,17H2,1H3