3-butyl-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 3-butyl-2-[2-(4-cyanophenyl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 3-butyl-2-[2-(4-cyanophenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 3-butyl-2-[[2-(4-cyanophenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 3-butyl-2-[2-(4-cyanophenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 3-butyl-2-[[2-(4-cyanophenyl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N4O3S2/c1-2-3-10-24-18-11-16(29(22,26)27)8-9-17(18)23-20(24)28-13-19(25)15-6-4-14(12-21)5-7-15/h4-9,11H,2-3,10,13H2,1H3,(H2,22,26,27)