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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H25N7O3S2 MolecularWeight: 487.5983

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N7O3S2/c1-3-4-11-27-18-10-9-16(33(23,29)30)12-17(18)24-19(27)13-32-21-26-25-20(28(21)22)14-5-7-15(31-2)8-6-14/h5-10,12H,3-4,11,13,22H2,1-2H3,(H2,23,29,30)