5-[2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-4-yl]-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine

Systemtic Name: 5-[2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-4-yl]-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine Openeye Name: 1-(benzenesulfonyl)-5-[2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-4-yl]pyrrolo[2,3-b]pyridine CAS Name: 1-(benzenesulfonyl)-5-[2-methyl-5-[2-(methylthio)-4-pyrimidinyl]-1H-imidazol-4-yl]pyrrolo[2,3-b]pyridine IUPAC Name: 1-(benzenesulfonyl)-5-[2-methyl-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-4-yl]pyrrolo[2,3-b]pyridine Traditional Name: 1-besyl-5-[2-methyl-5-[2-(methylthio)pyrimidin-4-yl]-1H-imidazol-4-yl]pyrrolo[2,3-b]pyridine Formula: C22H18N6O2S2 MolecularWeight: 462.54732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)C2=NC(=NC=C2)SC)C3=CN=C4C(=C3)C=CN4S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C(N1)C2=NC(=NC=C2)SC)C3=CN=C4C(=C3)C=CN4S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O2S2/c1-14-25-19(20(26-14)18-8-10-23-22(27-18)31-2)16-12-15-9-11-28(21(15)24-13-16)32(29,30)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,25,26)