4-(2-pyrimidin-2-ylsulfanylethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-pyrimidin-2-ylsulfanylethanoyl)benzenecarbonitrile Openeye Name: 4-(2-pyrimidin-2-ylsulfanylacetyl)benzonitrile CAS Name: 4-[1-oxo-2-(2-pyrimidinylthio)ethyl]benzonitrile IUPAC Name: 4-(2-pyrimidin-2-ylsulfanylacetyl)benzonitrile Traditional Name: 4-[2-(2-pyrimidylthio)acetyl]benzonitrile Formula: C13H9N3OS MolecularWeight: 255.29506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3OS/c14-8-10-2-4-11(5-3-10)12(17)9-18-13-15-6-1-7-16-13/h1-7H,9H2