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1,2,4-1H-Triazole, 1-(2,4,6-trichlorophenyl)-5-dimethylaminomethylenamino-3-methylthio-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,2,4-1H-Triazole, 1-(2,4,6-trichlorophenyl)-5-dimethylaminomethylenamino-3-methylthio-
SpectraBase Compound ID ZtwoXACWOV
InChI InChI=1S/C12H12Cl3N5S/c1-19(2)6-16-11-17-12(21-3)18-20(11)10-8(14)4-7(13)5-9(10)15/h4-6H,1-3H3/b16-6+
InChIKey SKHCHNCBPIHWSV-OMCISZLKSA-N
Mol Weight 364.68 g/mol
Molecular Formula C12H12Cl3N5S
Exact Mass 362.9879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HHQKfMg2MF
Name 1,2,4-1H-Triazole, 1-(2,4,6-trichlorophenyl)-5-dimethylaminomethylenamino-3-methylthio-
Comments Computed using HOSE algorithm
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Exact Mass 362.987899680 u
Formula C12H12Cl3N5S
InChI InChI=1S/C12H12Cl3N5S/c1-19(2)6-16-11-17-12(21-3)18-20(11)10-8(14)4-7(13)5-9(10)15/h4-6H,1-3H3/b16-6+
InChIKey SKHCHNCBPIHWSV-OMCISZLKSA-N
Molecular Weight 364.682 g/mol
SMILES CSC=1N=C(N(C2=C(C=C(C=C2Cl)Cl)Cl)N1)\N=C\N(C)C