3-[4-(3-chlorophenyl)-2-methyl-phenyl]-2-methylsulfanyl-N-pyrimidin-5-yl-propanamide

Systemtic Name: 3-[4-(3-chlorophenyl)-2-methyl-phenyl]-2-methylsulfanyl-N-pyrimidin-5-yl-propanamide Openeye Name: 3-[4-(3-chlorophenyl)-2-methyl-phenyl]-2-methylsulfanyl-N-pyrimidin-5-yl-propanamide CAS Name: 3-[4-(3-chlorophenyl)-2-methylphenyl]-2-(methylthio)-N-(5-pyrimidinyl)propanamide IUPAC Name: 3-[4-(3-chlorophenyl)-2-methylphenyl]-2-methylsulfanyl-N-pyrimidin-5-ylpropanamide Traditional Name: 3-[4-(3-chlorophenyl)-2-methyl-phenyl]-2-(methylthio)-N-(5-pyrimidyl)propionamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=CC=C2)Cl)CC(C(=O)NC3=CN=CN=C3)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=CC=C2)Cl)CC(C(=O)NC3=CN=CN=C3)SC

InChI

InChI=1S/C21H20ClN3OS/c1-14-8-17(16-4-3-5-18(22)9-16)7-6-15(14)10-20(27-2)21(26)25-19-11-23-13-24-12-19/h3-9,11-13,20H,10H2,1-2H3,(H,25,26)