(5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butylcyclohexane-1-carboxylate

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butylcyclohexane-1-carboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C(=NN2C3=CC=CC=C3)C)SC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2S/c1-3-4-11-21-16-18-22(19-17-21)27(30)31-26-25(32-24-14-9-6-10-15-24)20(2)28-29(26)23-12-7-5-8-13-23/h5-10,12-15,21-22H,3-4,11,16-19H2,1-2H3