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

Systemtic Name: 1-butyl-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C17H24N6O3S2 MolecularWeight: 424.54086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=O)N3CCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=O)N3CCC

InChI

InChI=1S/C17H24N6O3S2/c1-3-5-9-22-14-7-6-12(28(18,25)26)10-13(14)19-15(22)11-27-17-21-20-16(24)23(17)8-4-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,24)(H2,18,25,26)