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5-(Methylthio)-3-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID DeytqcNELld
InChI InChI=1S/C11H8N4O2S/c1-18-11-9(6-12)10(13-14-11)7-3-2-4-8(5-7)15(16)17/h2-5H,1H3,(H,13,14)
InChIKey BZLTYHPMSIBXBG-UHFFFAOYSA-N
Mol Weight 260.27 g/mol
Molecular Formula C11H8N4O2S
Exact Mass 260.036797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzEdoYZyKyj
Name 5-(Methylthio)-3-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4O2S
InChI InChI=1S/C11H8N4O2S/c1-18-11-9(6-12)10(13-14-11)7-3-2-4-8(5-7)15(16)17/h2-5H,1H3,(H,13,14)
InChIKey BZLTYHPMSIBXBG-UHFFFAOYSA-N
Molecular Weight 260.271 g/mol
SMILES [nH]1nc(c(c1SC)C#N)-c1cc(N(=O)=O)ccc1
SPLASH splash10-03di-2490000000-cde89aa29137128511ac
Source of Spectrum AD-0-2532-0
Synonyms 3-(methylthio)-5-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile 3-Methylsulfanyl-5-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile 5-(Methylsulfanyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
Wiley ID 1427177