6-(4-methylphenyl)sulfonyl-2-(2-pyridin-2-ylphenyl)sulfanyl-1H-benzimidazole

Systemtic Name: 6-(4-methylphenyl)sulfonyl-2-(2-pyridin-2-ylphenyl)sulfanyl-1H-benzimidazole Openeye Name: 6-(p-tolylsulfonyl)-2-[2-(2-pyridyl)phenyl]sulfanyl-1H-benzimidazole CAS Name: 6-(4-methylphenyl)sulfonyl-2-[[2-(2-pyridinyl)phenyl]thio]-1H-benzimidazole IUPAC Name: 6-(4-methylphenyl)sulfonyl-2-(2-pyridin-2-ylphenyl)sulfanyl-1H-benzimidazole Traditional Name: 2-[[2-(2-pyridyl)phenyl]thio]-6-tosyl-1H-benzimidazole Formula: C25H19N3O2S2 MolecularWeight: 457.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)SC4=CC=CC=C4C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N3)SC4=CC=CC=C4C5=CC=CC=N5

InChI

InChI=1S/C25H19N3O2S2/c1-17-9-11-18(12-10-17)32(29,30)19-13-14-22-23(16-19)28-25(27-22)31-24-8-3-2-6-20(24)21-7-4-5-15-26-21/h2-16H,1H3,(H,27,28)