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3-fluorobenzyl 4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide

View entire compound with spectra: 2 NMR

3-fluorobenzyl 4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide
SpectraBase Compound ID 9anTE8g7sKg
InChI InChI=1S/C18H14FN3OS2/c19-14-5-1-4-13(10-14)12-25-18-21-20-17(16-7-3-9-24-16)22(18)11-15-6-2-8-23-15/h1-10H,11-12H2
InChIKey KXQGPDQJFKWJES-UHFFFAOYSA-N
Mol Weight 371.45 g/mol
Molecular Formula C18H14FN3OS2
Exact Mass 371.056233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6jnaSGMBwX
Name 3-Fluorobenzyl 4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl sulfide
Comments Computed using HOSE algorithm
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Exact Mass 371.056232593 u
Formula C18H14FN3OS2
InChI InChI=1S/C18H14FN3OS2/c19-14-5-1-4-13(10-14)12-25-18-21-20-17(16-7-3-9-24-16)22(18)11-15-6-2-8-23-15/h1-10H,11-12H2
InChIKey KXQGPDQJFKWJES-UHFFFAOYSA-N
Molecular Weight 371.448 g/mol
SMILES C1=CC=C(C=C1CSC=1N(C(=NN1)C=1SC=CC1)CC=1OC=CC1)F