N-aminocarbonyl-3-[2-(5-nitrothiophen-2-yl)-3H-benzimidazol-5-yl]propanenitrilium

Systemtic Name: N-aminocarbonyl-3-[2-(5-nitrothiophen-2-yl)-3H-benzimidazol-5-yl]propanenitrilium Openeye Name: N-carbamoyl-3-[2-(5-nitro-2-thienyl)-3H-benzimidazol-5-yl]propanenitrilium CAS Name: N-carbamoyl-3-[2-(5-nitro-2-thiophenyl)-3H-benzimidazol-5-yl]propanenitrilium IUPAC Name: N-carbamoyl-3-[2-(5-nitrothiophen-2-yl)-3H-benzimidazol-5-yl]propanenitrilium Traditional Name: N-carbamoyl-3-[2-(5-nitro-2-thienyl)-3H-benzimidazol-5-yl]propiononitrilium Formula: C15H12N5O3S+ MolecularWeight: 342.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CCC#[N+]C(=O)N)NC(=N2)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1CCC#[N+]C(=O)N)NC(=N2)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O3S/c16-15(21)17-7-1-2-9-3-4-10-11(8-9)19-14(18-10)12-5-6-13(24-12)20(22)23/h3-6,8H,1-2H2,(H2-,16,18,19,21)/p+1