N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C24H24N4OS/c1-17-12-18(2)14-21(13-17)28(11-7-10-25)23(29)16-30-24-26-19(3)15-22(27-24)20-8-5-4-6-9-20/h4-6,8-9,12-15H,7,11,16H2,1-3H3