1-(azepan-1-yl)-2-[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridyl]thio]ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CN=C(C=C3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H24N4OS/c1-15-6-8-17-18(12-15)24-21(23-17)16-7-9-19(22-13-16)27-14-20(26)25-10-4-2-3-5-11-25/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,24)