N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(2-pyrimidylthio)acetamide Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-13-9-14(2)11-15(10-13)21(8-3-5-18)16(22)12-23-17-19-6-4-7-20-17/h4,6-7,9-11H,3,8,12H2,1-2H3