2-(3,5-diethoxy-4-methylsulfanyl-phenyl)ethanenitrile

Systemtic Name: 2-(3,5-diethoxy-4-methylsulfanyl-phenyl)ethanenitrile Openeye Name: 2-(3,5-diethoxy-4-methylsulfanyl-phenyl)acetonitrile CAS Name: 2-[3,5-diethoxy-4-(methylthio)phenyl]acetonitrile IUPAC Name: 2-(3,5-diethoxy-4-methylsulfanylphenyl)acetonitrile Traditional Name: 2-[3,5-diethoxy-4-(methylthio)phenyl]acetonitrile Formula: C13H17NO2S MolecularWeight: 251.34458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1SC)OCC)CC#N

Isomeric SMILES

CCOC1=CC(=CC(=C1SC)OCC)CC#N

InChI

InChI=1S/C13H17NO2S/c1-4-15-11-8-10(6-7-14)9-12(16-5-2)13(11)17-3/h8-9H,4-6H2,1-3H3