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

Systemtic Name: 1-butyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C20H26N6O2S2 MolecularWeight: 446.58944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C20H26N6O2S2/c1-2-3-10-25-17-9-8-15(30(21,27)28)11-16(17)22-18(25)12-29-20-24-23-19(13-4-5-13)26(20)14-6-7-14/h8-9,11,13-14H,2-7,10,12H2,1H3,(H2,21,27,28)