2-[5-(azepan-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[5-(azepan-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole Openeye Name: 2-[5-(azepan-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[5-(1-azepanyl)-2-nitrophenyl]thio]-1H-benzimidazole IUPAC Name: 2-[5-(azepan-1-yl)-2-nitrophenyl]sulfanyl-1H-benzimidazole Traditional Name: 2-[[5-(azepan-1-yl)-2-nitro-phenyl]thio]-1H-benzimidazole Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H20N4O2S/c24-23(25)17-10-9-14(22-11-5-1-2-6-12-22)13-18(17)26-19-20-15-7-3-4-8-16(15)21-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,20,21)