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

Systemtic Name: 1-ethyl-2-[2-[2-(3-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[2-[2-(3-nitrobenzoyl)hydrazino]-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[2-[[(3-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[2-keto-2-[N'-(3-nitrobenzoyl)hydrazino]ethyl]thio]benzimidazole-5-sulfonamide Formula: C18H18N6O6S2 MolecularWeight: 478.50212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6S2/c1-2-23-15-7-6-13(32(19,29)30)9-14(15)20-18(23)31-10-16(25)21-22-17(26)11-4-3-5-12(8-11)24(27)28/h3-9H,2,10H2,1H3,(H,21,25)(H,22,26)(H2,19,29,30)