4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethyl-benzamide

Systemtic Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethyl-benzamide Openeye Name: N-phenethyl-4-[[2-(p-tolylmethylsulfanyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzamide CAS Name: 4-[[2-[(4-methylphenyl)methylthio]-3-imidazo[4,5-b]pyridinyl]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethylbenzamide Traditional Name: 4-[[2-[(4-methylbenzyl)thio]imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethyl-benzamide Formula: C30H28N4OS MolecularWeight: 492.63452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2CC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)N=CC=C3

InChI

InChI=1S/C30H28N4OS/c1-22-9-11-25(12-10-22)21-36-30-33-27-8-5-18-31-28(27)34(30)20-24-13-15-26(16-14-24)29(35)32-19-17-23-6-3-2-4-7-23/h2-16,18H,17,19-21H2,1H3,(H,32,35)