1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-ethylsulfonylindolin-5-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1-esylindolin-5-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S2/c1-3-31(28,29)26-12-11-18-14-19(9-10-21(18)26)22(27)15-30-23-24-16(2)13-20(25-23)17-7-5-4-6-8-17/h4-10,13-14H,3,11-12,15H2,1-2H3