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

Systemtic Name: 1-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N6O2S2/c1-2-3-11-26-17-10-9-15(30(21,27)28)12-16(17)22-18(26)13-29-20-23-19(24-25-20)14-7-5-4-6-8-14/h4-10,12H,2-3,11,13H2,1H3,(H2,21,27,28)(H,23,24,25)