3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanylmethyl]benzonitrile CAS Name: 3-[[(5-acetyl-2-methoxyphenyl)methylthio]methyl]benzonitrile IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-acetyl-2-methoxy-benzyl)thio]methyl]benzonitrile Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H17NO2S/c1-13(20)16-6-7-18(21-2)17(9-16)12-22-11-15-5-3-4-14(8-15)10-19/h3-9H,11-12H2,1-2H3