methyl 2,5,6-tris(chloranyl)-4-(diethylcarbamothioylsulfanyl)pyridine-3-carboxylate

Systemtic Name: methyl 2,5,6-tris(chloranyl)-4-(diethylcarbamothioylsulfanyl)pyridine-3-carboxylate Openeye Name: methyl 2,5,6-trichloro-4-(diethylcarbamothioylsulfanyl)pyridine-3-carboxylate CAS Name: 2,5,6-trichloro-4-[[diethylamino(sulfanylidene)methyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2,5,6-trichloro-4-(diethylcarbamothioylsulfanyl)pyridine-3-carboxylate Traditional Name: 2,5,6-trichloro-4-(diethylthiocarbamoylthio)nicotinic acid methyl ester Formula: C12H13Cl3N2O2S2 MolecularWeight: 387.73282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)SC1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)OC

InChI

InChI=1S/C12H13Cl3N2O2S2/c1-4-17(5-2)12(20)21-8-6(11(18)19-3)9(14)16-10(15)7(8)13/h4-5H2,1-3H3