ethyl 2-butyl-3-[[4-[3-(cyanosulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-[3-(cyanosulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-[3-(cyanosulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-[3-(cyanosulfamoyl)phenyl]phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-[3-(cyanosulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-[3-(cyanosulfamoyl)phenyl]benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C25H28N4O4S2 MolecularWeight: 512.64422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)NC#N)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)NC#N)C(=O)OCC)SC

InChI

InChI=1S/C25H28N4O4S2/c1-4-6-10-22-28-24(34-3)23(25(30)33-5-2)29(22)16-18-11-13-19(14-12-18)20-8-7-9-21(15-20)35(31,32)27-17-26/h7-9,11-15,27H,4-6,10,16H2,1-3H3