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5-(3-ethoxyphenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 3W7QwrePUKv
InChI InChI=1S/C18H18N4OS/c1-3-23-16-6-4-5-15(11-16)17-20-21-18(24)22(17)19-12-14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,21,24)/b19-12+
InChIKey LKHYXRWFUHYPJN-XDHOZWIPSA-N
Mol Weight 338.43 g/mol
Molecular Formula C18H18N4OS
Exact Mass 338.120132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQJlG3UZSfV
Name 5-(3-Ethoxyphenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
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Exact Mass 338.120132389 u
Formula C18H18N4OS
InChI InChI=1S/C18H18N4OS/c1-3-23-16-6-4-5-15(11-16)17-20-21-18(24)22(17)19-12-14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,21,24)/b19-12+
InChIKey LKHYXRWFUHYPJN-XDHOZWIPSA-N
Molecular Weight 338.429 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OCC)=CC=C1)\N=C\C=1C=CC(=CC1)C