4-(3-chlorophenyl)-4-(2-methylphenyl)-2-methylsulfanyl-N-pyrimidin-5-yl-butanamide

Systemtic Name: 4-(3-chlorophenyl)-4-(2-methylphenyl)-2-methylsulfanyl-N-pyrimidin-5-yl-butanamide Openeye Name: 4-(3-chlorophenyl)-2-methylsulfanyl-4-(o-tolyl)-N-pyrimidin-5-yl-butanamide CAS Name: 4-(3-chlorophenyl)-4-(2-methylphenyl)-2-(methylthio)-N-(5-pyrimidinyl)butanamide IUPAC Name: 4-(3-chlorophenyl)-4-(2-methylphenyl)-2-methylsulfanyl-N-pyrimidin-5-ylbutanamide Traditional Name: 4-(3-chlorophenyl)-2-(methylthio)-4-(o-tolyl)-N-(5-pyrimidyl)butyramide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(C(=O)NC2=CN=CN=C2)SC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(CC(C(=O)NC2=CN=CN=C2)SC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3OS/c1-15-6-3-4-9-19(15)20(16-7-5-8-17(23)10-16)11-21(28-2)22(27)26-18-12-24-14-25-13-18/h3-10,12-14,20-21H,11H2,1-2H3,(H,26,27)