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

Systemtic Name: 1-butyl-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C18H26N6O2S2 MolecularWeight: 422.56804

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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O2S2/c1-5-6-9-24-14-8-7-12(28(19,25)26)10-13(14)20-15(24)11-27-17-21-16(22-23-17)18(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H2,19,25,26)(H,21,22,23)