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

Systemtic Name: 1-butyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C19H22N6O3S2 MolecularWeight: 446.54638

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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=CO4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3C)C4=CC=CO4

InChI

InChI=1S/C19H22N6O3S2/c1-3-4-9-25-15-8-7-13(30(20,26)27)11-14(15)21-17(25)12-29-19-23-22-18(24(19)2)16-6-5-10-28-16/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,20,26,27)