3-[3-(4-methylsulfanylphenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 3-[3-(4-methylsulfanylphenyl)propanoyl]benzenecarbonitrile Openeye Name: 3-[3-(4-methylsulfanylphenyl)propanoyl]benzonitrile CAS Name: 3-[3-[4-(methylthio)phenyl]-1-oxopropyl]benzonitrile IUPAC Name: 3-[3-(4-methylsulfanylphenyl)propanoyl]benzonitrile Traditional Name: 3-[3-[4-(methylthio)phenyl]propanoyl]benzonitrile Formula: C17H15NOS MolecularWeight: 281.3721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NOS/c1-20-16-8-5-13(6-9-16)7-10-17(19)15-4-2-3-14(11-15)12-18/h2-6,8-9,11H,7,10H2,1H3