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3-(4-Chlorophenyl)-1-methyl-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 26NEuJhA6d0
InChI InChI=1S/C12H10ClN3S/c1-16-12(17-2)10(7-14)11(15-16)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKey BFONCHDDZTVCSG-UHFFFAOYSA-N
Mol Weight 263.75 g/mol
Molecular Formula C12H10ClN3S
Exact Mass 263.028396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6z6KOsneLeN
Name 3-(4-Chlorophenyl)-1-methyl-5-(methylsulfanyl)-1H-pyrazole-4-carbonitrile
CAS Registry Number 68364-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClN3S
InChI InChI=1S/C12H10ClN3S/c1-16-12(17-2)10(7-14)11(15-16)8-3-5-9(13)6-4-8/h3-6H,1-2H3
InChIKey BFONCHDDZTVCSG-UHFFFAOYSA-N
Molecular Weight 263.746 g/mol
SMILES c1(c([n](C)nc1-c1ccc(Cl)cc1)SC)C#N
SPLASH splash10-03di-1290000000-54c0c18188a4297e2cc5
Source of Spectrum AD-0-2532-0
Synonyms 1H-Pyrazole-4-carbonitrile, 3-(4-chlorophenyl)-1-methyl-5-(methylthio)- 3-(4-Chlorophenyl)-1-methyl-5-(methylthio)-4-pyrazolecarbonitrile 3-(4-Chlorophenyl)-1-methyl-5-(methylthio)pyrazole-4-carbonitrile 3-(4-Chlorophenyl)-1-methyl-5-methylsulfanyl-pyrazole-4-carbonitrile
Wiley ID 1425639