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5-(3-methylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID GUo3bRUZnOt
InChI InChI=1S/C19H20N4OS/c1-3-11-24-17-9-7-15(8-10-17)13-20-23-18(21-22-19(23)25)16-6-4-5-14(2)12-16/h4-10,12-13H,3,11H2,1-2H3,(H,22,25)/b20-13+
InChIKey DBDBIKKFWAACNL-DEDYPNTBSA-N
Mol Weight 352.46 g/mol
Molecular Formula C19H20N4OS
Exact Mass 352.135782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GkNfMVyrHw
Name 5-(3-Methylphenyl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
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Exact Mass 352.135782453 u
Formula C19H20N4OS
InChI InChI=1S/C19H20N4OS/c1-3-11-24-17-9-7-15(8-10-17)13-20-23-18(21-22-19(23)25)16-6-4-5-14(2)12-16/h4-10,12-13H,3,11H2,1-2H3,(H,22,25)/b20-13+
InChIKey DBDBIKKFWAACNL-DEDYPNTBSA-N
Molecular Weight 352.456 g/mol
SMILES SC=1N(C(=NN1)C1=CC(C)=CC=C1)\N=C\C=1C=CC(=CC1)OCCC