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

Systemtic Name: 1-butyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C17H24N6O2S2 MolecularWeight: 408.54146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)CCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)CCC

InChI

InChI=1S/C17H24N6O2S2/c1-3-5-9-23-14-8-7-12(27(18,24)25)10-13(14)19-16(23)11-26-17-20-15(6-4-2)21-22-17/h7-8,10H,3-6,9,11H2,1-2H3,(H2,18,24,25)(H,20,21,22)