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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC=N3)N=C2SCC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC=N3)N=C2SCC4=CC=C(C=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C30H28N4OS/c1-22-7-5-10-25(19-22)20-34-28-27(11-6-17-31-28)33-30(34)36-21-24-12-14-26(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)