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

Systemtic Name: 2-[[4-azanyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C20H22FN7O2S2 MolecularWeight: 475.562783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3N)C4=CC=CC=C4F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3N)C4=CC=CC=C4F

InChI

InChI=1S/C20H22FN7O2S2/c1-2-3-10-27-17-9-8-13(32(23,29)30)11-16(17)24-18(27)12-31-20-26-25-19(28(20)22)14-6-4-5-7-15(14)21/h4-9,11H,2-3,10,12,22H2,1H3,(H2,23,29,30)