ethyl 5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 5-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate Openeye Name: ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylsulfanyl]-2-thioxo-1,3-dithiole-4-carboxylate CAS Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylthio]-2-sulfanylidene-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate Traditional Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methylthio]-2-thioxo-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C13H9ClF3NO2S4 MolecularWeight: 431.92427

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=S)S1)SCC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=S)S1)SCC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H9ClF3NO2S4/c1-2-20-10(19)9-11(24-12(21)23-9)22-5-8-7(14)3-6(4-18-8)13(15,16)17/h3-4H,2,5H2,1H3