methyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]-3-methyl-imidazole-4-carboxylate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-3-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methylimidazole-4-carboxylate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]-3-methyl-imidazole-4-carboxylic acid methyl ester Formula: C12H9ClF3N3O2S MolecularWeight: 351.73197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OC

Isomeric SMILES

CN1C(=CN=C1SC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)OC

InChI

InChI=1S/C12H9ClF3N3O2S/c1-19-8(10(20)21-2)5-18-11(19)22-9-7(13)3-6(4-17-9)12(14,15)16/h3-5H,1-2H3