N-[3-(furan-2-ylcarbonylcarbamothioyl)-2H-[1,2,4]triazolo[4,3-a]benzimidazol-9-ium-1-yl]furan-2-carboxamide

Systemtic Name: N-[3-(furan-2-ylcarbonylcarbamothioyl)-2H-[1,2,4]triazolo[4,3-a]benzimidazol-9-ium-1-yl]furan-2-carboxamide Openeye Name: N-[3-(furan-2-carbonylcarbamothioyl)-2H-[1,2,4]triazolo[4,3-a]benzimidazol-9-ium-1-yl]furan-2-carboxamide CAS Name: N-[3-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-2H-[1,2,4]triazolo[4,3-a]benzimidazol-9-ium-1-yl]-2-furancarboxamide IUPAC Name: N-[3-(furan-2-carbonylcarbamothioyl)-2H-[1,2,4]triazolo[4,3-a]benzimidazol-9-ium-1-yl]furan-2-carboxamide Traditional Name: N-[3-(2-furoylthiocarbamoyl)-2H-[1,2,4]triazolo[4,3-a]benzimidazol-9-ium-1-yl]-2-furamide Formula: C19H13N6O4S+ MolecularWeight: 421.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3[N+]2=C(NN3C(=S)NC(=O)C4=CC=CO4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1=CC=C2C(=C1)N=C3[N+]2=C(NN3C(=S)NC(=O)C4=CC=CO4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C19H12N6O4S/c26-15(13-7-3-9-28-13)21-17-23-25(19(30)22-16(27)14-8-4-10-29-14)18-20-11-5-1-2-6-12(11)24(17)18/h1-10H,(H2,21,22,23,26,27,30)/p+1