N1-[2-(Trifluoromethyl)phenyl]-2-[2-(5-{[(4-chlorophenyl)thio]methyl}-2H-1,2,3,4-tetraazol-2-yl)acetyl]hydrazine-1-carbothioamide

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Systematic / IUPAC Name: 2-[(5-{[(4-Chlorophenyl)sulfanyl]methyl}-2H-tetrazol-2-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamide

ID: Reference8461

Other Names: 1-[[2-[5-[(4-Chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea;
2H-Tetrazole-2-aceticacid, 5-[[(4-chlorophenyl)thio]methyl]-,2-[thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]hydrazide

Formula: C18H15ClF3N7OS2

Spectral Data

N1-[2-(Trifluoromethyl)phenyl]-2-[2-(5-{[(4-chlorophenyl)thio]methyl}-2H-1,2,3,4-tetraazol-2-yl)acetyl]hydrazine-1-carbothioamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 220
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/12/2018 1:04:11 PM
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Identificators

InChI InChI=1S/C18H15ClF3N7OS2/c19-11-5-7-12(8-6-11)32-10-15-24-28-29(27-15)9-16(30)25-26-17(31)23-14-4-2-1-3-13(14)18(20,21)22/h1-8H,9-10H2,(H,25,30)(H2,23,26,31)
InChI Key NWFLHMJUXIPXSO-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CN2N=C(N=N2)CSC3=CC=C(C=C3)Cl
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Other Names 1-[[2-[5-[(4-Chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea;
2H-Tetrazole-2-aceticacid, 5-[[(4-chlorophenyl)thio]methyl]-,2-[thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]hydrazide

In Other Databases

PubChem 2743773
ChemSpider 2025282