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1-[1-(3,4-dichlorophenyl)sulfonyl-3-pyrazolyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one
SpectraBase Compound ID 7EhXPt1XDYR
InChI InChI=1S/C20H18Cl2N2O3S3/c1-20(2)9-12-17(16(25)10-20)19(28-3)29-18(12)15-6-7-24(23-15)30(26,27)11-4-5-13(21)14(22)8-11/h4-8H,9-10H2,1-3H3
InChIKey NPASTNJRUNWUAJ-UHFFFAOYSA-N
Mol Weight 501.46 g/mol
Molecular Formula C20H18Cl2N2O3S3
Exact Mass 499.985661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoPN3ZZUIrr
Name 1-[1-(3,4-dichlorophenyl)sulfonyl-3-pyrazolyl]-6,6-dimethyl-3-(methylthio)-5,7-dihydro-2-benzothiophen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18Cl2N2O3S3
InChI InChI=1S/C20H18Cl2N2O3S3/c1-20(2)9-12-17(16(25)10-20)19(28-3)29-18(12)15-6-7-24(23-15)30(26,27)11-4-5-13(21)14(22)8-11/h4-8H,9-10H2,1-3H3
InChIKey NPASTNJRUNWUAJ-UHFFFAOYSA-N
Molecular Weight 501.461 g/mol
SMILES CSc1sc(c2c1C(=O)CC(C2)(C)C)-c1n[n](S(c2cc(Cl)c(cc2)Cl)(=O)=O)cc1
SPLASH splash10-0006-4590020000-89f86dd9b8b7219303cf
Synonyms 1-[1-(3,4-dichlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophen-4-one 1-[1-(3,4-dichlorophenyl)sulfonylpyrazol-3-yl]-6,6-dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
Wiley ID 1446533