1-(azepan-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butan-1-one Openeye Name: 1-(azepan-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butan-1-one CAS Name: 1-(1-azepanyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-butanone IUPAC Name: 1-(azepan-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)butan-1-one Traditional Name: 1-(azepan-1-yl)-2-(1H-imidazo[4,5-b]pyridin-2-ylthio)butan-1-one Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCCCC1)SC2=NC3=C(N2)C=CC=N3

Isomeric SMILES

CCC(C(=O)N1CCCCCC1)SC2=NC3=C(N2)C=CC=N3

InChI

InChI=1S/C16H22N4OS/c1-2-13(15(21)20-10-5-3-4-6-11-20)22-16-18-12-8-7-9-17-14(12)19-16/h7-9,13H,2-6,10-11H2,1H3,(H,17,18,19)