2-(2,3-dimethyl-5-methylsulfanyl-pyrrolo[2,3-b]pyridin-7-yl)-1-phenyl-ethanone

Systemtic Name: 2-(2,3-dimethyl-5-methylsulfanyl-pyrrolo[2,3-b]pyridin-7-yl)-1-phenyl-ethanone Openeye Name: 2-(2,3-dimethyl-5-methylsulfanyl-pyrrolo[2,3-b]pyridin-7-yl)-1-phenyl-ethanone CAS Name: 2-[2,3-dimethyl-5-(methylthio)-7-pyrrolo[2,3-b]pyridinyl]-1-phenylethanone IUPAC Name: 2-(2,3-dimethyl-5-methylsulfanylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanone Traditional Name: 2-[2,3-dimethyl-5-(methylthio)pyrrolo[2,3-b]pyridin-7-yl]-1-phenyl-ethanone Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C1=CC(=CN2CC(=O)C3=CC=CC=C3)SC)C

Isomeric SMILES

CC1=C(N=C2C1=CC(=CN2CC(=O)C3=CC=CC=C3)SC)C

InChI

InChI=1S/C18H18N2OS/c1-12-13(2)19-18-16(12)9-15(22-3)10-20(18)11-17(21)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3