2-(3-ethoxy-4-ethylsulfanyl-5-methoxy-phenyl)ethanenitrile

Systemtic Name: 2-(3-ethoxy-4-ethylsulfanyl-5-methoxy-phenyl)ethanenitrile Openeye Name: 2-(3-ethoxy-4-ethylsulfanyl-5-methoxy-phenyl)acetonitrile CAS Name: 2-[3-ethoxy-4-(ethylthio)-5-methoxyphenyl]acetonitrile IUPAC Name: 2-(3-ethoxy-4-ethylsulfanyl-5-methoxyphenyl)acetonitrile Traditional Name: 2-[3-ethoxy-4-(ethylthio)-5-methoxy-phenyl]acetonitrile Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1SCC)OC)CC#N

Isomeric SMILES

CCOC1=CC(=CC(=C1SCC)OC)CC#N

InChI

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