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[2-cyano-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-1-piperidin-1-yl-vinyl]-dithiocarbamic acidmethyl ester
SpectraBase Compound ID 4r9OwbZtI70
InChI InChI=1S/C21H25N7OS2/c1-15-18(20(29)28(26(15)2)16-10-6-4-7-11-16)25-24-17(14-22)19(23-21(30)31-3)27-12-8-5-9-13-27/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,23,30)/b19-17-,25-24+
InChIKey JWKMPUPLLWVPCH-IRKKKQLFSA-N
Mol Weight 455.6 g/mol
Molecular Formula C21H25N7OS2
Exact Mass 455.156201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIfLPbaamV9
Name [2-cyano-2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylazo)-1-piperidin-1-yl-vinyl]-dithiocarbamic acidmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N7OS2
InChI InChI=1S/C21H25N7OS2/c1-15-18(20(29)28(26(15)2)16-10-6-4-7-11-16)25-24-17(14-22)19(23-21(30)31-3)27-12-8-5-9-13-27/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3,(H,23,30)/b19-17-,25-24+
InChIKey JWKMPUPLLWVPCH-IRKKKQLFSA-N
Molecular Weight 455.599 g/mol
SMILES N(\C(=C/(\N=N\C=1C(N(c2ccccc2)N(C1C)C)=O)C#N)N1CCCCC1)C(=S)SC
SPLASH splash10-0569-7931500000-d26a0289c670570436d2
Source of Spectrum Y-51-1701-5
Synonyms Methyl ((Z)-2-cyano-2-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-1-(piperidin-1-yl)vinyl)carbamodithioate
Wiley ID 1741644