3-(2-methylsulfanylpyrimidin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(2-methylsulfanylpyrimidin-4-yl)benzenecarbonitrile Openeye Name: 3-(2-methylsulfanylpyrimidin-4-yl)benzonitrile CAS Name: 3-[2-(methylthio)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-(2-methylsulfanylpyrimidin-4-yl)benzonitrile Traditional Name: 3-[2-(methylthio)pyrimidin-4-yl]benzonitrile Formula: C12H9N3S MolecularWeight: 227.28496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3S/c1-16-12-14-6-5-11(15-12)10-4-2-3-9(7-10)8-13/h2-7H,1H3