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

Systemtic Name: 4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethyl-benzamide Openeye Name: 4-[[2-(m-tolylmethylsulfanyl)imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethyl-benzamide CAS Name: 4-[[2-[(3-methylphenyl)methylthio]-3-imidazo[4,5-b]pyridinyl]methyl]-N-phenethylbenzamide IUPAC Name: 4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-phenethylbenzamide Traditional Name: 4-[[2-[(3-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(=CC=C1)CSC2=NC3=C(N2CC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5)N=CC=C3

Isomeric SMILES

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

InChI

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