N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C23H22N4O2S/c1-17-15-19(18-9-4-3-5-10-18)26-23(25-17)30-16-22(28)27(14-8-13-24)20-11-6-7-12-21(20)29-2/h3-7,9-12,15H,8,14,16H2,1-2H3