2-[(3,4-dimethoxyphenyl)methylsulfanylcarbothioylsulfanyl]ethanenitrile

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylsulfanylcarbothioylsulfanyl]ethanenitrile Openeye Name: 2-[(3,4-dimethoxyphenyl)methylsulfanylcarbothioylsulfanyl]acetonitrile CAS Name: 2-[[[(3,4-dimethoxyphenyl)methylthio]-sulfanylidenemethyl]thio]acetonitrile IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylsulfanylcarbothioylsulfanyl]acetonitrile Traditional Name: 2-[(veratrylthio)carbothioylthio]acetonitrile Formula: C12H13NO2S3 MolecularWeight: 299.43212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S3/c1-14-10-4-3-9(7-11(10)15-2)8-18-12(16)17-6-5-13/h3-4,7H,6,8H2,1-2H3