ethyl 5-[(3-cyanophenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 5-[(3-cyanophenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate Openeye Name: ethyl 5-[(3-cyanophenyl)methylsulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate CAS Name: 5-[(3-cyanophenyl)methylthio]-2-sulfanylidene-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-cyanophenyl)methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate Traditional Name: 5-[(3-cyanobenzyl)thio]-2-thioxo-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C14H11NO2S4 MolecularWeight: 353.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=S)S1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=S)S1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H11NO2S4/c1-2-17-12(16)11-13(21-14(18)20-11)19-8-10-5-3-4-9(6-10)7-15/h3-6H,2,8H2,1H3