3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzonitrile CAS Name: 3-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]benzonitrile Traditional Name: 3-[(E)-3-[4-(methylthio)phenyl]acryloyl]benzonitrile Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NOS/c1-20-16-8-5-13(6-9-16)7-10-17(19)15-4-2-3-14(11-15)12-18/h2-11H,1H3/b10-7+