4-[2-(phenylmethylsulfanyl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(phenylmethylsulfanyl)ethanoyl]benzenecarbonitrile Openeye Name: 4-(2-benzylsulfanylacetyl)benzonitrile CAS Name: 4-[1-oxo-2-(phenylmethylthio)ethyl]benzonitrile IUPAC Name: 4-(2-benzylsulfanylacetyl)benzonitrile Traditional Name: 4-[2-(benzylthio)acetyl]benzonitrile Formula: C16H13NOS MolecularWeight: 267.34552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13NOS/c17-10-13-6-8-15(9-7-13)16(18)12-19-11-14-4-2-1-3-5-14/h1-9H,11-12H2