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

Systemtic Name: 4-[(E)-1-methylsulfanyl-3-phenylmethoxy-prop-1-en-2-yl]benzenecarbonitrile Openeye Name: 4-[(E)-1-(benzyloxymethyl)-2-methylsulfanyl-vinyl]benzonitrile CAS Name: 4-[(E)-1-(methylthio)-3-phenylmethoxyprop-1-en-2-yl]benzonitrile IUPAC Name: 4-[(E)-1-methylsulfanyl-3-phenylmethoxyprop-1-en-2-yl]benzonitrile Traditional Name: 4-[(E)-1-(benzoxymethyl)-2-(methylthio)vinyl]benzonitrile Formula: C18H17NOS MolecularWeight: 295.39868

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Descriptors Computed from Structure

Canonical SMILES:

CSC=C(COCC1=CC=CC=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CS/C=C(/COCC1=CC=CC=C1)\C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17NOS/c1-21-14-18(17-9-7-15(11-19)8-10-17)13-20-12-16-5-3-2-4-6-16/h2-10,14H,12-13H2,1H3/b18-14-