methyl 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-5-ethyl-1-methyl-imidazole-4-carboxylate

Systemtic Name: methyl 2-[4,4-bis(fluoranyl)but-3-enylsulfanyl]-5-ethyl-1-methyl-imidazole-4-carboxylate Openeye Name: methyl 2-(4,4-difluorobut-3-enylsulfanyl)-5-ethyl-1-methyl-imidazole-4-carboxylate CAS Name: 2-(4,4-difluorobut-3-enylthio)-5-ethyl-1-methyl-4-imidazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(4,4-difluorobut-3-enylsulfanyl)-5-ethyl-1-methylimidazole-4-carboxylate Traditional Name: 2-(4,4-difluorobut-3-enylthio)-5-ethyl-1-methyl-imidazole-4-carboxylic acid methyl ester Formula: C12H16F2N2O2S MolecularWeight: 290.329446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N1C)SCCC=C(F)F)C(=O)OC

Isomeric SMILES

CCC1=C(N=C(N1C)SCCC=C(F)F)C(=O)OC

InChI

InChI=1S/C12H16F2N2O2S/c1-4-8-10(11(17)18-3)15-12(16(8)2)19-7-5-6-9(13)14/h6H,4-5,7H2,1-3H3