4-(2-pyridin-2-ylsulfanylethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-pyridin-2-ylsulfanylethanoyl)benzenecarbonitrile Openeye Name: 4-[2-(2-pyridylsulfanyl)acetyl]benzonitrile CAS Name: 4-[1-oxo-2-(2-pyridinylthio)ethyl]benzonitrile IUPAC Name: 4-(2-pyridin-2-ylsulfanylacetyl)benzonitrile Traditional Name: 4-[2-(2-pyridylthio)acetyl]benzonitrile Formula: C14H10N2OS MolecularWeight: 254.307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2OS/c15-9-11-4-6-12(7-5-11)13(17)10-18-14-3-1-2-8-16-14/h1-8H,10H2