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(Z)-2-cyano-2-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-1-(piperidin-1-yl)vinylcarbamo-dithioic acid

View entire compound with spectra: 1 MS (GC)

(Z)-2-cyano-2-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-1-(piperidin-1-yl)vinylcarbamo-dithioic acid
SpectraBase Compound ID JnqwRpZ1KeX
InChI InChI=1S/C20H23N7OS2/c1-14-17(19(28)27(25(14)2)15-9-5-3-6-10-15)24-23-16(13-21)18(22-20(29)30)26-11-7-4-8-12-26/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H2,22,29,30)/b18-16-,24-23-
InChIKey RCRQJKOFJHMHSC-LVJFSKKJSA-N
Mol Weight 441.57 g/mol
Molecular Formula C20H23N7OS2
Exact Mass 441.140551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAVE8H2UXEy
Name (Z)-2-cyano-2-((E)-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-1-(piperidin-1-yl)vinylcarbamo-dithioic acid
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Formula C20H23N7OS2
InChI InChI=1S/C20H23N7OS2/c1-14-17(19(28)27(25(14)2)15-9-5-3-6-10-15)24-23-16(13-21)18(22-20(29)30)26-11-7-4-8-12-26/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H2,22,29,30)/b18-16-,24-23-
InChIKey RCRQJKOFJHMHSC-LVJFSKKJSA-N
Molecular Weight 441.572 g/mol
SMILES N(\C(=C/(N=NC=1C(N(c2ccccc2)N(C1C)C)=O)C#N)N1CCCCC1)C(=S)S
SPLASH splash10-0a4i-9300000000-24d9420413a83cc675cb
Source of Spectrum Y-51-1701-6
Synonyms ((1Z)-2-cyano-2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)diazenyl)-1-(piperidin-1-yl)vinyl)carbamodithioic acid
Wiley ID 1741643