3-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethanoyl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethanoyl]benzenecarbonitrile Openeye Name: 3-[2-(4-methylsulfanylphenyl)-2-oxo-acetyl]benzonitrile CAS Name: 3-[2-[4-(methylthio)phenyl]-1,2-dioxoethyl]benzonitrile IUPAC Name: 3-[2-(4-methylsulfanylphenyl)-2-oxoacetyl]benzonitrile Traditional Name: 3-[2-keto-2-[4-(methylthio)phenyl]acetyl]benzonitrile Formula: C16H11NO2S MolecularWeight: 281.32904

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H11NO2S/c1-20-14-7-5-12(6-8-14)15(18)16(19)13-4-2-3-11(9-13)10-17/h2-9H,1H3