2-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl]thio]-1-propyl-benzimidazole-5-sulfonamide Formula: C19H20N6O6S2 MolecularWeight: 492.5287

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6S2/c1-2-8-24-16-7-6-14(33(20,30)31)10-15(16)21-19(24)32-11-17(26)22-23-18(27)12-4-3-5-13(9-12)25(28)29/h3-7,9-10H,2,8,11H2,1H3,(H,22,26)(H,23,27)(H2,20,30,31)