azepan-1-yl-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]methanone Openeye Name: azepan-1-yl-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]methanone CAS Name: 1-azepanyl-[4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]methanone Traditional Name: azepan-1-yl-[4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]phenyl]methanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4

InChI

InChI=1S/C20H22N4OS/c25-19(24-11-3-1-2-4-12-24)16-7-5-15(6-8-16)14-26-20-22-17-9-10-21-13-18(17)23-20/h5-10,13H,1-4,11-12,14H2,(H,22,23)