1-ethyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S2/c1-2-24-18-9-8-15(30(21,27)28)12-17(18)22-20(24)29-13-19(26)25-11-10-16(23-25)14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H2,21,27,28)