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

Systemtic Name: 1-butyl-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C23H28N6O2S2 MolecularWeight: 484.63742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3CC)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3CC)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N6O2S2/c1-3-5-13-29-20-12-11-18(33(24,30)31)15-19(20)25-22(29)16-32-23-27-26-21(28(23)4-2)14-17-9-7-6-8-10-17/h6-12,15H,3-5,13-14,16H2,1-2H3,(H2,24,30,31)