2-(3,4-dimethoxyphenyl)sulfanylethanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanylethanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanylacetonitrile CAS Name: 2-[(3,4-dimethoxyphenyl)thio]acetonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanylacetonitrile Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]acetonitrile Formula: C10H11NO2S MolecularWeight: 209.26484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC#N)OC

InChI

InChI=1S/C10H11NO2S/c1-12-9-4-3-8(14-6-5-11)7-10(9)13-2/h3-4,7H,6H2,1-2H3