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

Systemtic Name: 1-butyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2S2/c1-3-4-11-27-18-10-9-16(31(22,28)29)12-17(18)23-19(27)13-30-21-24-20(25-26-21)15-7-5-14(2)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3,(H2,22,28,29)(H,24,25,26)