methyl 2-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(2-cyanoethylsulfanyl)-2-thioxo-1,3-dithiol-4-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-cyanoethylthio)-2-sulfanylidene-1,3-dithiol-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-cyanoethylthio)-2-thioxo-1,3-dithiol-4-yl]thio]acetic acid methyl ester Formula: C9H9NO2S5 MolecularWeight: 323.49826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(SC(=S)S1)SCCC#N

Isomeric SMILES

COC(=O)CSC1=C(SC(=S)S1)SCCC#N

InChI

InChI=1S/C9H9NO2S5/c1-12-6(11)5-15-8-7(14-4-2-3-10)16-9(13)17-8/h2,4-5H2,1H3