2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)sulfanyl-1H-benzimidazole CAS Name: 2-[[2-nitro-5-(1-piperazin-4-iumyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 2-(2-nitro-5-piperazin-4-ium-1-ylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(2-nitro-5-piperazin-4-ium-1-yl-phenyl)thio]-1H-benzimidazole Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H17N5O2S/c23-22(24)15-6-5-12(21-9-7-18-8-10-21)11-16(15)25-17-19-13-3-1-2-4-14(13)20-17/h1-6,11,18H,7-10H2,(H,19,20)/p+1