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

Systemtic Name: 2-(4-butylsulfanyl-3,5-dimethoxy-phenyl)ethanenitrile Openeye Name: 2-(4-butylsulfanyl-3,5-dimethoxy-phenyl)acetonitrile CAS Name: 2-[4-(butylthio)-3,5-dimethoxyphenyl]acetonitrile IUPAC Name: 2-(4-butylsulfanyl-3,5-dimethoxyphenyl)acetonitrile Traditional Name: 2-[4-(butylthio)-3,5-dimethoxy-phenyl]acetonitrile Formula: C14H19NO2S MolecularWeight: 265.37116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C=C1OC)CC#N)OC

Isomeric SMILES

CCCCSC1=C(C=C(C=C1OC)CC#N)OC

InChI

InChI=1S/C14H19NO2S/c1-4-5-8-18-14-12(16-2)9-11(6-7-15)10-13(14)17-3/h9-10H,4-6,8H2,1-3H3