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

Systemtic Name: 1-butyl-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C26H27N7O2S2 MolecularWeight: 533.66828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C26H27N7O2S2/c1-2-3-14-32-23-12-11-21(37(27,34)35)15-22(23)29-24(32)18-36-26-31-30-25(20-10-7-13-28-16-20)33(26)17-19-8-5-4-6-9-19/h4-13,15-16H,2-3,14,17-18H2,1H3,(H2,27,34,35)