5-methoxy-2-[(E)-3-methylsulfanylprop-2-enyl]benzenecarbonitrile

Systemtic Name: 5-methoxy-2-[(E)-3-methylsulfanylprop-2-enyl]benzenecarbonitrile Openeye Name: 5-methoxy-2-[(E)-3-methylsulfanylallyl]benzonitrile CAS Name: 5-methoxy-2-[(E)-3-(methylthio)prop-2-enyl]benzonitrile IUPAC Name: 5-methoxy-2-[(E)-3-methylsulfanylprop-2-enyl]benzonitrile Traditional Name: 5-methoxy-2-[(E)-3-(methylthio)allyl]benzonitrile Formula: C12H13NOS MolecularWeight: 219.30272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC=CSC)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)C/C=C/SC)C#N

InChI

InChI=1S/C12H13NOS/c1-14-12-6-5-10(4-3-7-15-2)11(8-12)9-13/h3,5-8H,4H2,1-2H3/b7-3+