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

Systemtic Name: 1-butyl-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O3S2/c1-2-3-11-26-18-10-9-16(32(22,29)30)12-17(18)23-19(26)14-31-21-25-24-20(28)27(21)13-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,24,28)(H2,22,29,30)