4-(4-chlorophenyl)sulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]butyramide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CCCSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CCCSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H24ClN3OS/c1-15-6-10-19(11-7-15)26-17(3)22(16(2)25-26)24-21(27)5-4-14-28-20-12-8-18(23)9-13-20/h6-13H,4-5,14H2,1-3H3,(H,24,27)