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4-(Benzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JCs1hnWasGw
InChI InChI=1S/C15H15N5S2/c1-10(2)12-9-22-14(17-12)13-18-19-15(21)20(13)16-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,21)/b16-8+
InChIKey LDZSDDUXDSVCDT-LZYBPNLTSA-N
Mol Weight 329.44 g/mol
Molecular Formula C15H15N5S2
Exact Mass 329.076888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBsKpApHugm
Name 4-(Benzylideneamino)-5-(4-isopropylthiazol-2-yl)-4H-1,2,4-triazole-3-thiol
Comments Computed using HOSE algorithm
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Exact Mass 329.076887851 u
Formula C15H15N5S2
InChI InChI=1S/C15H15N5S2/c1-10(2)12-9-22-14(17-12)13-18-19-15(21)20(13)16-8-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,21)/b16-8+
InChIKey LDZSDDUXDSVCDT-LZYBPNLTSA-N
Molecular Weight 329.440 g/mol
SMILES C=1(N(C(=NN1)S)\N=C\C=1C=CC=CC1)C1=NC(C(C)C)=CS1