2-[[4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4-phenyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(besylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C23H19N5O2S2 MolecularWeight: 461.55926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)CS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)CS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H19N5O2S2/c29-32(30,18-11-5-2-6-12-18)16-22-26-27-23(28(22)17-9-3-1-4-10-17)31-15-21-24-19-13-7-8-14-20(19)25-21/h1-14H,15-16H2,(H,24,25)