N-(3-chloranyl-4-cyano-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C16H15ClN4OS MolecularWeight: 346.8345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl)C

InChI

InChI=1S/C16H15ClN4OS/c1-9-10(2)19-16(20-11(9)3)23-8-15(22)21-13-5-4-12(7-18)14(17)6-13/h4-6H,8H2,1-3H3,(H,21,22)