2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)ethanenitrile

Systemtic Name: 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)ethanenitrile Openeye Name: 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)acetonitrile CAS Name: 2-[4-(heptylthio)-2,5-dimethoxyphenyl]acetonitrile IUPAC Name: 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)acetonitrile Traditional Name: 2-[4-(heptylthio)-2,5-dimethoxy-phenyl]acetonitrile Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)OC)CC#N)OC

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)OC)CC#N)OC

InChI

InChI=1S/C17H25NO2S/c1-4-5-6-7-8-11-21-17-13-15(19-2)14(9-10-18)12-16(17)20-3/h12-13H,4-9,11H2,1-3H3