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

Systemtic Name: 2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenoxy]acetonitrile Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2S/c1-22-17-9-2-14(3-10-17)4-11-18(20)15-5-7-16(8-6-15)21-13-12-19/h2-11H,13H2,1H3/b11-4+