1-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)C4=CC=C(C=C4)CC

InChI

InChI=1S/C22H26N6O2S2/c1-3-5-12-28-19-11-10-17(32(23,29)30)13-18(19)24-20(28)14-31-22-25-21(26-27-22)16-8-6-15(4-2)7-9-16/h6-11,13H,3-5,12,14H2,1-2H3,(H2,23,29,30)(H,25,26,27)