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

Systemtic Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1H-benzimidazole Openeye Name: 2-(2-nitro-5-pyrrolidin-1-yl-phenyl)sulfanyl-1H-benzimidazole CAS Name: 2-[[2-nitro-5-(1-pyrrolidinyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 2-(2-nitro-5-pyrrolidin-1-ylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[(2-nitro-5-pyrrolidino-phenyl)thio]-1H-benzimidazole Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H16N4O2S/c22-21(23)15-8-7-12(20-9-3-4-10-20)11-16(15)24-17-18-13-5-1-2-6-14(13)19-17/h1-2,5-8,11H,3-4,9-10H2,(H,18,19)