ethyl 2-butyl-3-[[4-(3-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-(3-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(3-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(3-cyano-2-imidazo[1,2-a]pyridinyl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(3-cyanoimidazo[1,2-a]pyridin-2-yl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(3-cyanoimidazo[1,2-a]pyridin-2-yl)benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)C#N)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=C(N4C=CC=CC4=N3)C#N)C(=O)OCC)SC

InChI

InChI=1S/C26H27N5O2S/c1-4-6-9-22-29-25(34-3)24(26(32)33-5-2)31(22)17-18-11-13-19(14-12-18)23-20(16-27)30-15-8-7-10-21(30)28-23/h7-8,10-15H,4-6,9,17H2,1-3H3