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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopentanecarboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O2S/c1-16-20(27-19-14-6-3-7-15-19)21(26-22(25)17-10-8-9-11-17)24(23-16)18-12-4-2-5-13-18/h2-7,12-15,17H,8-11H2,1H3