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5-(2-chlorophenyl)-4-{[(E)-(5-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 3yKnoWvV61U
InChI InChI=1S/C14H11ClN4S2/c1-9-6-7-10(21-9)8-16-19-13(17-18-14(19)20)11-4-2-3-5-12(11)15/h2-8H,1H3,(H,18,20)/b16-8+
InChIKey GJSYHLKDBRJMGE-LZYBPNLTSA-N
Mol Weight 334.84 g/mol
Molecular Formula C14H11ClN4S2
Exact Mass 334.011366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KK67ILgDrsT
Name 5-(2-Chlorophenyl)-4-{[(E)-(5-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
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Exact Mass 334.011366418 u
Formula C14H11ClN4S2
InChI InChI=1S/C14H11ClN4S2/c1-9-6-7-10(21-9)8-16-19-13(17-18-14(19)20)11-4-2-3-5-12(11)15/h2-8H,1H3,(H,18,20)/b16-8+
InChIKey GJSYHLKDBRJMGE-LZYBPNLTSA-N
SMILES SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C=1SC(C)=CC1