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

Systemtic Name: 1-butyl-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C22H26N6O3S2 MolecularWeight: 486.61024

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(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3S2/c1-2-3-12-27-19-10-9-17(33(23,30)31)14-18(19)24-20(27)15-32-22-26-25-21(29)28(22)13-11-16-7-5-4-6-8-16/h4-10,14H,2-3,11-13,15H2,1H3,(H,25,29)(H2,23,30,31)