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

Systemtic Name: N-aminocarbonyl-3-[2-(5-nitrothiophen-3-yl)-3H-benzimidazol-5-yl]propanenitrilium Openeye Name: N-carbamoyl-3-[2-(5-nitro-3-thienyl)-3H-benzimidazol-5-yl]propanenitrilium CAS Name: N-carbamoyl-3-[2-(5-nitro-3-thiophenyl)-3H-benzimidazol-5-yl]propanenitrilium IUPAC Name: N-carbamoyl-3-[2-(5-nitrothiophen-3-yl)-3H-benzimidazol-5-yl]propanenitrilium Traditional Name: N-carbamoyl-3-[2-(5-nitro-3-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=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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