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4-isopropylsulfonyl-5-(methylthio)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SpectraBase Compound ID DONsfCS4m0L
InChI InChI=1S/C16H16F3NO3S3/c1-9(2)26(22,23)13-8-12(25-15(13)24-3)14(21)20-11-6-4-5-10(7-11)16(17,18)19/h4-9H,1-3H3,(H,20,21)
InChIKey AJKVITZEYJZTTQ-UHFFFAOYSA-N
Mol Weight 423.48 g/mol
Molecular Formula C16H16F3NO3S3
Exact Mass 423.024441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbIHuzdKC0S
Name 4-isopropylsulfonyl-5-(methylthio)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Alternate Name(s) 4-isopropylsulfonyl-5-methylsulfanyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide 5-(methylthio)-4-propan-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxamide 5-Methylsulfanyl-4-propan-2-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NO3S3
InChI InChI=1S/C16H16F3NO3S3/c1-9(2)26(22,23)13-8-12(25-15(13)24-3)14(21)20-11-6-4-5-10(7-11)16(17,18)19/h4-9H,1-3H3,(H,20,21)
InChIKey AJKVITZEYJZTTQ-UHFFFAOYSA-N
Molecular Weight 423.483 g/mol
SMILES N(C(c1cc(S(=O)(=O)C(C)C)c(s1)SC)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-03k9-1290200000-e939c890cc4eaec9179c
Wiley ID 1438823