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4-[(4-Chloro-benzylidene)-amino]-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol
SpectraBase Compound ID DDG9nODTTh9
InChI InChI=1S/C10H6ClF3N4S/c11-7-3-1-6(2-4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+
InChIKey CDCHVVURHZRQBL-PJQLUOCWSA-N
Mol Weight 306.69 g/mol
Molecular Formula C10H6ClF3N4S
Exact Mass 305.99538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSTeiH1IUgT
Name 4-[(4-Chloro-benzylidene)-amino]-5-trifluoromethyl-4H-[1,2,4]triazole-3-thiol
Alternate Name(s) 4-[(E)-(4-chlorobenzylidene)amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione 4-[(E)-(4-chlorophenyl)methyleneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione 4-[(E)-(4-chlorophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione 4-{[(E)-(4-chlorophenyl)methylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
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Formula C10H6ClF3N4S
InChI InChI=1S/C10H6ClF3N4S/c11-7-3-1-6(2-4-7)5-15-18-8(10(12,13)14)16-17-9(18)19/h1-5H,(H,17,19)/b15-5+
InChIKey CDCHVVURHZRQBL-PJQLUOCWSA-N
Molecular Weight 306.694 g/mol
SMILES Sc1[n](c(nn1)C(F)(F)F)\N=C\c1ccc(cc1)Cl
SPLASH splash10-000i-2901000000-ebd6cbe185290ed4a3e2
Wiley ID 1437597