2-(3,5-dimethoxy-4-propylsulfanyl-phenyl)ethanenitrile

Systemtic Name: 2-(3,5-dimethoxy-4-propylsulfanyl-phenyl)ethanenitrile Openeye Name: 2-(3,5-dimethoxy-4-propylsulfanyl-phenyl)acetonitrile CAS Name: 2-[3,5-dimethoxy-4-(propylthio)phenyl]acetonitrile IUPAC Name: 2-(3,5-dimethoxy-4-propylsulfanylphenyl)acetonitrile Traditional Name: 2-[3,5-dimethoxy-4-(propylthio)phenyl]acetonitrile Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C=C1OC)CC#N)OC

Isomeric SMILES

CCCSC1=C(C=C(C=C1OC)CC#N)OC

InChI

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