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

Systemtic Name: N-(3-methylbutyl)-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide Openeye Name: N-isopentyl-4-[[2-(m-tolylmethylsulfanyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzamide CAS Name: N-(3-methylbutyl)-4-[[2-[(3-methylphenyl)methylthio]-3-imidazo[4,5-b]pyridinyl]methyl]benzamide IUPAC Name: N-(3-methylbutyl)-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide Traditional Name: N-isoamyl-4-[[2-[(3-methylbenzyl)thio]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4OS/c1-19(2)13-15-29-26(32)23-11-9-21(10-12-23)17-31-25-24(8-5-14-28-25)30-27(31)33-18-22-7-4-6-20(3)16-22/h4-12,14,16,19H,13,15,17-18H2,1-3H3,(H,29,32)