2-(2-nitro-5-piperidin-1-yl-phenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 2-(2-nitro-5-piperidin-1-yl-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-[2-nitro-5-(1-piperidyl)phenyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[2-nitro-5-(1-piperidinyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 2-(2-nitro-5-piperidin-1-ylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(2-nitro-5-piperidino-phenyl)thio]-1H-benzimidazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4O2S/c23-22(24)16-9-8-13(21-10-4-1-5-11-21)12-17(16)25-18-19-14-6-2-3-7-15(14)20-18/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20)