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

Systemtic Name: 3-[2-(4-methylsulfanylphenyl)-2-oxidanyl-ethanoyl]benzenecarbonitrile Openeye Name: 3-[2-hydroxy-2-(4-methylsulfanylphenyl)acetyl]benzonitrile CAS Name: 3-[2-hydroxy-2-[4-(methylthio)phenyl]-1-oxoethyl]benzonitrile IUPAC Name: 3-[2-hydroxy-2-(4-methylsulfanylphenyl)acetyl]benzonitrile Traditional Name: 3-[2-hydroxy-2-[4-(methylthio)phenyl]acetyl]benzonitrile Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO2S/c1-20-14-7-5-12(6-8-14)15(18)16(19)13-4-2-3-11(9-13)10-17/h2-9,15,18H,1H3