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4-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-3-(.alpha.-dimethylaminomethylene-.alpha.-formylmethyl)-5-chloro-1-phenyl-pyrazole

View entire compound with spectra: 1 MS (GC)

4-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-3-(.alpha.-dimethylaminomethylene-.alpha.-formylmethyl)-5-chloro-1-phenyl-pyrazole
SpectraBase Compound ID B0LztC6Azhw
InChI InChI=1S/C16H14ClN5OS2/c1-21(2)8-10(9-23)13-12(15-18-19-16(24)25-15)14(17)22(20-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,24)/b10-8-
InChIKey PFOYILXHQNLSNC-NTMALXAHSA-N
Mol Weight 391.9 g/mol
Molecular Formula C16H14ClN5OS2
Exact Mass 391.03283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTWldEdKOuo
Name 4-(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)-3-(.alpha.-dimethylaminomethylene-.alpha.-formylmethyl)-5-chloro-1-phenyl-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN5OS2
InChI InChI=1S/C16H14ClN5OS2/c1-21(2)8-10(9-23)13-12(15-18-19-16(24)25-15)14(17)22(20-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,24)/b10-8-
InChIKey PFOYILXHQNLSNC-NTMALXAHSA-N
Molecular Weight 391.895 g/mol
SMILES N1C(SC(=N1)c1c([n](-c2ccccc2)nc1\C(=C/N(C)C)C=O)Cl)=S
SPLASH splash10-00kg-9001000000-15d6fb63582629640bfc
Source of Spectrum QC-23-45-13
Synonyms (2E)-2-[5-chloro-1-phenyl-4-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)-1H-pyrazol-3-yl]-3-(dimethylamino)-2-propenal
Wiley ID 1583885