5-nitro-1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione

Systemtic Name: 5-nitro-1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Openeye Name: 5-nitro-1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione CAS Name: 5-nitro-1-phenyl-3-(1-pyrrolidin-1-iumylmethyl)-2-benzimidazolethione IUPAC Name: 5-nitro-1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Traditional Name: 5-nitro-1-phenyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=S)C4=CC=CC=C4

InChI

InChI=1S/C18H18N4O2S/c23-22(24)15-8-9-16-17(12-15)20(13-19-10-4-5-11-19)18(25)21(16)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2/p+1