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

Systemtic Name: 1-butyl-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C21H23FN6O2S2 MolecularWeight: 474.574723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C)C4=CC=CC=C4F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C)C4=CC=CC=C4F

InChI

InChI=1S/C21H23FN6O2S2/c1-3-4-11-28-18-10-9-14(32(23,29)30)12-17(18)24-19(28)13-31-21-26-25-20(27(21)2)15-7-5-6-8-16(15)22/h5-10,12H,3-4,11,13H2,1-2H3,(H2,23,29,30)