2-[(4-chlorophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]acetamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H22ClN3OS/c1-14-4-10-19(11-5-14)25-16(3)21(15(2)24-25)23-20(26)13-27-12-17-6-8-18(22)9-7-17/h4-11H,12-13H2,1-3H3,(H,23,26)