(E)-3-(cyanomethylsulfanyl)-2-methylsulfonyl-3-sulfanyl-prop-2-enenitrile

Systemtic Name: (E)-3-(cyanomethylsulfanyl)-2-methylsulfonyl-3-sulfanyl-prop-2-enenitrile Openeye Name: (E)-3-(cyanomethylsulfanyl)-2-methylsulfonyl-3-sulfanyl-prop-2-enenitrile CAS Name: (E)-3-(cyanomethylthio)-3-mercapto-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-(cyanomethylsulfanyl)-2-methylsulfonyl-3-sulfanylprop-2-enenitrile Traditional Name: (E)-3-(cyanomethylthio)-3-mercapto-2-mesyl-acrylonitrile Formula: C6H6N2O2S3 MolecularWeight: 234.31904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=C(S)SCC#N)C#N

Isomeric SMILES

CS(=O)(=O)/C(=C(\S)/SCC#N)/C#N

InChI

InChI=1S/C6H6N2O2S3/c1-13(9,10)5(4-8)6(11)12-3-2-7/h11H,3H2,1H3/b6-5+