N-(3,4-dichlorophenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3,4-dichlorophenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3,4-dichlorophenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3,4-dichlorophenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3,4-dichlorophenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3,4-dichlorophenyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C21H19Cl2N3OS MolecularWeight: 432.36606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19Cl2N3OS/c1-3-19(21(27)26-15-9-10-16(22)17(23)11-15)28-20-12-18(24-13(2)25-20)14-7-5-4-6-8-14/h4-12,19H,3H2,1-2H3,(H,26,27)