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

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-N,N-dimethyl-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:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NNC(=N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NNC(=N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H24N6O2S2/c1-5-27-18-11-10-16(31(28,29)26(3)4)12-17(18)22-19(27)13-30-21-23-20(24-25-21)15-8-6-14(2)7-9-15/h6-12H,5,13H2,1-4H3,(H,23,24,25)