2-[3-(4-methylsulfanylphenyl)carbonylphenyl]propanenitrile

Systemtic Name: 2-[3-(4-methylsulfanylphenyl)carbonylphenyl]propanenitrile Openeye Name: 2-[3-(4-methylsulfanylbenzoyl)phenyl]propanenitrile CAS Name: 2-[3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]propanenitrile IUPAC Name: 2-[3-(4-methylsulfanylbenzoyl)phenyl]propanenitrile Traditional Name: 2-[3-[4-(methylthio)benzoyl]phenyl]propionitrile Formula: C17H15NOS MolecularWeight: 281.3721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NOS/c1-12(11-18)14-4-3-5-15(10-14)17(19)13-6-8-16(20-2)9-7-13/h3-10,12H,1-2H3