4-cyclopentyl-5-(4-ethanoylphenyl)-2-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 4-cyclopentyl-5-(4-ethanoylphenyl)-2-methylsulfanyl-benzenecarbonitrile Openeye Name: 5-(4-acetylphenyl)-4-cyclopentyl-2-methylsulfanyl-benzonitrile CAS Name: 5-(4-acetylphenyl)-4-cyclopentyl-2-(methylthio)benzonitrile IUPAC Name: 5-(4-acetylphenyl)-4-cyclopentyl-2-methylsulfanylbenzonitrile Traditional Name: 5-(4-acetylphenyl)-4-cyclopentyl-2-(methylthio)benzonitrile Formula: C21H16NOS MolecularWeight: 330.42284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C(C=C(C(=C2)C#N)SC)[C]3[CH][CH][CH][CH]3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=C(C=C(C(=C2)C#N)SC)[C]3[CH][CH][CH][CH]3

InChI

InChI=1S/C21H16NOS/c1-14(23)15-7-9-17(10-8-15)19-11-18(13-22)21(24-2)12-20(19)16-5-3-4-6-16/h3-12H,1-2H3