5-chloranyl-N-[4-(cyanomethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(cyanomethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(cyanomethyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-(cyanomethyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(cyanomethyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(cyanomethyl)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C14H11ClN4OS MolecularWeight: 318.78134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)CC#N)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)CC#N)Cl

InChI

InChI=1S/C14H11ClN4OS/c1-21-14-17-8-11(15)12(19-14)13(20)18-10-4-2-9(3-5-10)6-7-16/h2-5,8H,6H2,1H3,(H,18,20)