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4,5-dimethoxy-2-sulfanyl-benzenecarbonitrile

4,5-dimethoxy-2-sulfanyl-benzenecarbonitrile

Systemtic Name:4,5-dimethoxy-2-sulfanyl-benzenecarbonitrile
Openeye Name:4,5-dimethoxy-2-sulfanyl-benzonitrile
CAS Name:2-mercapto-4,5-dimethoxybenzonitrile
IUPAC Name:4,5-dimethoxy-2-sulfanylbenzonitrile
Traditional Name:2-mercapto-4,5-dimethoxy-benzonitrile
Formula: C9H9NO2S
MolecularWeight: 195.23826
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H9NO2S/c1-11-7-3-6(5-10)9(13)4-8(7)12-2/h3-4,13H,1-2H3


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