4-[(E)-1-methylsulfanyl-3-prop-2-enoxy-prop-1-en-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(E)-1-methylsulfanyl-3-prop-2-enoxy-prop-1-en-2-yl]benzenecarbonitrile Openeye Name: 4-[(E)-1-(allyloxymethyl)-2-methylsulfanyl-vinyl]benzonitrile CAS Name: 4-[(E)-1-(methylthio)-3-prop-2-enoxyprop-1-en-2-yl]benzonitrile IUPAC Name: 4-[(E)-1-methylsulfanyl-3-prop-2-enoxyprop-1-en-2-yl]benzonitrile Traditional Name: 4-[(E)-1-(allyloxymethyl)-2-(methylthio)vinyl]benzonitrile Formula: C14H15NOS MolecularWeight: 245.34

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS/C=C(/COCC=C)\C1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H15NOS/c1-3-8-16-10-14(11-17-2)13-6-4-12(9-15)5-7-13/h3-7,11H,1,8,10H2,2H3/b14-11-