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

Systemtic Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) cyclohexanecarboxylate Openeye Name: (5-methyl-2-phenyl-4-phenylsulfanyl-pyrazol-3-yl) cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (5-methyl-2-phenyl-4-phenylsulfanylpyrazol-3-yl) cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [5-methyl-2-phenyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O2S/c1-17-21(28-20-15-9-4-10-16-20)22(25(24-17)19-13-7-3-8-14-19)27-23(26)18-11-5-2-6-12-18/h3-4,7-10,13-16,18H,2,5-6,11-12H2,1H3