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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclohexylpropanoate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N2O2S/c1-19-24(30-22-15-9-4-10-16-22)25(27(26-19)21-13-7-3-8-14-21)29-23(28)18-17-20-11-5-2-6-12-20/h3-4,7-10,13-16,20H,2,5-6,11-12,17-18H2,1H3