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

Systemtic Name: 1-butyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C23H26N6O2S2 MolecularWeight: 482.62154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H26N6O2S2/c1-2-3-13-28-20-12-11-18(33(24,30)31)14-19(20)25-21(28)15-32-23-27-26-22(16-9-10-16)29(23)17-7-5-4-6-8-17/h4-8,11-12,14,16H,2-3,9-10,13,15H2,1H3,(H2,24,30,31)