methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-cyclohexyl-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclohexyl-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-cyclohexyl-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3CCCCC3

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3CCCCC3

InChI

InChI=1S/C18H22N2O2S/c1-22-18(21)16-12-17(13-8-10-15(23-2)11-9-13)20(19-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3