[4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate Openeye Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenyl-pyrazol-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-3-pyrazolyl] ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-5-methyl-2-phenylpyrazol-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(4-chlorophenyl)thio]-5-methyl-2-phenyl-pyrazol-3-yl] ester Formula: C23H23ClN2O2S MolecularWeight: 426.95892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H23ClN2O2S/c1-16-21(29-20-14-12-18(24)13-15-20)22(26(25-16)19-10-6-3-7-11-19)28-23(27)17-8-4-2-5-9-17/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3