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1-(azepan-1-yl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanone

1-(azepan-1-yl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name:1-(azepan-1-yl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanone
Openeye Name:1-(azepan-1-yl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanone
CAS Name:1-(1-azepanyl)-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]ethanone
IUPAC Name:1-(azepan-1-yl)-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylethanone
Traditional Name:1-(azepan-1-yl)-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]ethanone
Formula: C22H21F3N4O3S
MolecularWeight: 478.48735
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CC(=C3)[N+](=O)[O-]


InChI

InChI=1S/C22H21F3N4O3S/c23-22(24,25)15-6-5-7-16(12-15)28-19-9-8-17(29(31)32)13-18(19)26-21(28)33-14-20(30)27-10-3-1-2-4-11-27/h5-9,12-13H,1-4,10-11,14H2


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