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

Systemtic Name: 1-butyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[4-methyl-5-(o-tolyl)-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=C(N3C)C4=CC=CC=C4C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C)C4=CC=CC=C4C

InChI

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