[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H23FN4O3S MolecularWeight: 430.495723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CN=C(N1C2=CC=C(C=C2)F)SC)C3(CCCCC3)C#N

InChI

InChI=1S/C21H23FN4O3S/c1-25(21(14-23)10-4-3-5-11-21)18(27)13-29-19(28)17-12-24-20(30-2)26(17)16-8-6-15(22)7-9-16/h6-9,12H,3-5,10-11,13H2,1-2H3