3-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(6-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)benzenecarbonitrile Openeye Name: 3-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)benzonitrile CAS Name: 3-[6-chloro-2-(methylthio)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)benzonitrile Traditional Name: 3-[6-chloro-2-(methylthio)pyrimidin-4-yl]benzonitrile Formula: C12H8ClN3S MolecularWeight: 261.73002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN3S/c1-17-12-15-10(6-11(13)16-12)9-4-2-3-8(5-9)7-14/h2-6H,1H3