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5-(4-ethoxyphenyl)-4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 3S41gYZlwBb
InChI InChI=1S/C16H16N4OS2/c1-3-21-13-6-4-12(5-7-13)15-18-19-16(22)20(15)17-10-14-11(2)8-9-23-14/h4-10H,3H2,1-2H3,(H,19,22)/b17-10+
InChIKey OGXFXKHHICMZCB-LICLKQGHSA-N
Mol Weight 344.45 g/mol
Molecular Formula C16H16N4OS2
Exact Mass 344.076553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NO3345zPBa
Name 5-(4-Ethoxyphenyl)-4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.076553498 u
Formula C16H16N4OS2
InChI InChI=1S/C16H16N4OS2/c1-3-21-13-6-4-12(5-7-13)15-18-19-16(22)20(15)17-10-14-11(2)8-9-23-14/h4-10H,3H2,1-2H3,(H,19,22)/b17-10+
InChIKey OGXFXKHHICMZCB-LICLKQGHSA-N
Molecular Weight 344.451 g/mol
SMILES SC=1N(C(=NN1)C1=CC=C(C=C1)OCC)\N=C\C1=C(C=CS1)C