1-(2-methylsulfanylpyrimidin-4-yl)-2-[1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone

Systemtic Name: 1-(2-methylsulfanylpyrimidin-4-yl)-2-[1-(phenylsulfonyl)pyrrolo[2,3-b]pyridin-5-yl]ethanone Openeye Name: 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methylsulfanylpyrimidin-4-yl)ethanone CAS Name: 2-[1-(benzenesulfonyl)-5-pyrrolo[2,3-b]pyridinyl]-1-[2-(methylthio)-4-pyrimidinyl]ethanone IUPAC Name: 2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-1-(2-methylsulfanylpyrimidin-4-yl)ethanone Traditional Name: 2-(1-besylpyrrolo[2,3-b]pyridin-5-yl)-1-[2-(methylthio)pyrimidin-4-yl]ethanone Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C(=O)CC2=CN=C3C(=C2)C=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC=CC(=N1)C(=O)CC2=CN=C3C(=C2)C=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3S2/c1-28-20-21-9-7-17(23-20)18(25)12-14-11-15-8-10-24(19(15)22-13-14)29(26,27)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3