dimethyl 2-(1-chloranyl-2-pyridin-2-ylsulfanyl-2-sulfanylidene-ethylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(1-chloranyl-2-pyridin-2-ylsulfanyl-2-sulfanylidene-ethylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-chloro-2-(2-pyridylsulfanyl)-2-thioxo-ethylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-chloro-2-(2-pyridinylthio)-2-sulfanylideneethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1-chloro-2-pyridin-2-ylsulfanyl-2-sulfanylideneethylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-chloro-2-(2-pyridylthio)-2-thioxo-ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C14H10ClNO4S4 MolecularWeight: 419.9465

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C(C(=S)SC2=CC=CC=N2)Cl)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C(C(=S)SC2=CC=CC=N2)Cl)S1)C(=O)OC

InChI

InChI=1S/C14H10ClNO4S4/c1-19-11(17)9-10(12(18)20-2)24-14(23-9)8(15)13(21)22-7-5-3-4-6-16-7/h3-6H,1-2H3