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2-(Methylsulfonyl)-3-[1'-(p-nitrophenyl)-3'-phenylpyrazol-3'-yl]-5-methylthiophene
SpectraBase Compound ID 8hep4fhqlTe
InChI InChI=1S/C21H17N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-13H,1-2H3
InChIKey SHCAJWJDNYPZIO-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C21H17N3O4S2
Exact Mass 439.066048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOe3QW3nTBW
Name 2-(Methylsulfonyl)-3-[1'-(p-nitrophenyl)-3'-phenylpyrazol-3'-yl]-5-methylthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O4S2
InChI InChI=1S/C21H17N3O4S2/c1-14-12-18(21(29-14)30(2,27)28)19-13-20(15-6-4-3-5-7-15)23(22-19)16-8-10-17(11-9-16)24(25)26/h3-13H,1-2H3
InChIKey SHCAJWJDNYPZIO-UHFFFAOYSA-N
Molecular Weight 439.504 g/mol
SMILES c1(c(S(=O)(=O)C)sc(c1)C)-c1n[n](-c2ccc(N(=O)=O)cc2)c(c1)-c1ccccc1
SPLASH splash10-01w0-0009800000-947460a510071d3fa2fb
Source of Spectrum F9-1994-115-7
Synonyms 3-[5-methyl-2-(methylsulfonyl)-3-thienyl]-1-(4-nitrophenyl)-5-phenyl-1H-pyrazole 5-Methyl-3-[1'-(p-nitrophenyl)-5'-phenylpyrazol-3'-yl]-2-(methylsulfonyl)thiophene Methyl 5-methyl-3-[1-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-yl]-2-thienyl sulfone
Wiley ID 1566847