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

Systemtic Name: 1-butyl-2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[4-(2,4-dimethylphenyl)-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=NN=CN3C4=C(C=C(C=C4)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=CN3C4=C(C=C(C=C4)C)C

InChI

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