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3-[1-(6-methoxy-2-naphthalenyl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 9Lv7cW3PunB
InChI InChI=1S/C21H19N3OS/c1-14(15-8-9-17-13-19(25-2)11-10-16(17)12-15)20-22-23-21(26)24(20)18-6-4-3-5-7-18/h3-14H,1-2H3,(H,23,26)
InChIKey WCGSNDGXOGQCSH-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C21H19N3OS
Exact Mass 361.124883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JXSDuapeyIZ
Name 3-[1-(6-Methoxy-2-naphthalenyl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Comments Computed using HOSE algorithm
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Exact Mass 361.124883417 u
Formula C21H19N3OS
InChI InChI=1S/C21H19N3OS/c1-14(15-8-9-17-13-19(25-2)11-10-16(17)12-15)20-22-23-21(26)24(20)18-6-4-3-5-7-18/h3-14H,1-2H3,(H,23,26)
InChIKey WCGSNDGXOGQCSH-UHFFFAOYSA-N
Molecular Weight 361.463 g/mol
SMILES C=1(N(C(=NN1)S)C1=CC=CC=C1)C(C1=CC2=CC=C(C=C2C=C1)OC)C