1-butyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)methyl]benzimidazole-5-sulfonamide Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C4N3C=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C4N3C=CC=C4

InChI

InChI=1S/C18H20N6O2S2/c1-2-3-9-23-15-8-7-13(28(19,25)26)11-14(15)20-17(23)12-27-18-22-21-16-6-4-5-10-24(16)18/h4-8,10-11H,2-3,9,12H2,1H3,(H2,19,25,26)