3-methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide

SpectraBase Compound ID	7UgZ4yuSEF8
InChI	InChI=1S/C13H11N5O6S2/c1-24-12-10(18(20)21)9(16-17-12)11(19)15-13-14-7-4-3-6(26(2,22)23)5-8(7)25-13/h3-5H,1-2H3,(H,16,17)(H,14,15,19)
InChIKey	ZFDFIAYSTPISLG-UHFFFAOYSA-N Google Search
Mol Weight	397.38 g/mol
Molecular Formula	C13H11N5O6S2
Exact Mass	397.015075 g/mol

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SpectraBase Spectrum ID	E4lK7pabJhu
Name	3-Methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H11N5O6S2
InChI	InChI=1S/C13H11N5O6S2/c1-24-12-10(18(20)21)9(16-17-12)11(19)15-13-14-7-4-3-6(26(2,22)23)5-8(7)25-13/h3-5H,1-2H3,(H,16,17)(H,14,15,19)
InChIKey	ZFDFIAYSTPISLG-UHFFFAOYSA-N
Molecular Weight	397.380 g/mol
SMILES	N(C(c1[nH]nc(c1N(=O)=O)OC)=O)c1sc2cc(ccc2n1)S(=O)(C)=O
SPLASH	splash10-02bf-9641000000-bfb77aa20afa97612474
Synonyms	N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Wiley ID	1442658