2-[2-azanyl-3-(phenylcarbonyl)phenyl]-2-(4-methylphenyl)sulfanyl-ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(phenylcarbonyl)phenyl]-2-(4-methylphenyl)sulfanyl-ethanenitrile Openeye Name: 2-(2-amino-3-benzoyl-phenyl)-2-(p-tolylsulfanyl)acetonitrile CAS Name: 2-(2-amino-3-benzoylphenyl)-2-[(4-methylphenyl)thio]acetonitrile IUPAC Name: 2-(2-amino-3-benzoylphenyl)-2-(4-methylphenyl)sulfanylacetonitrile Traditional Name: 2-(2-amino-3-benzoyl-phenyl)-2-(p-tolylthio)acetonitrile Formula: C22H18N2OS MolecularWeight: 358.45612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C#N)C2=CC=CC(=C2N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(C#N)C2=CC=CC(=C2N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2OS/c1-15-10-12-17(13-11-15)26-20(14-23)18-8-5-9-19(21(18)24)22(25)16-6-3-2-4-7-16/h2-13,20H,24H2,1H3