N-(3-chloranyl-4-cyano-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C13H9ClN4OS MolecularWeight: 304.75476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H9ClN4OS/c14-11-6-10(3-2-9(11)7-15)18-12(19)8-20-13-16-4-1-5-17-13/h1-6H,8H2,(H,18,19)