1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-methylsulfonylindolin-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1-mesylindolin-5-yl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]ethanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C18H21N3O3S2/c1-11-12(2)19-18(20-13(11)3)25-10-17(22)15-5-6-16-14(9-15)7-8-21(16)26(4,23)24/h5-6,9H,7-8,10H2,1-4H3