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1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one

View entire compound with spectra: 1 MS (GC)

1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
SpectraBase Compound ID D5gZBjUZul8
InChI InChI=1S/C22H17N3O4S/c1-14-17(9-10-27-14)21-23-24-22(25(21)16-5-3-2-4-6-16)30-12-18(26)15-7-8-19-20(11-15)29-13-28-19/h2-11H,12-13H2,1H3
InChIKey NSXMAJXUOMAQTA-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C22H17N3O4S
Exact Mass 419.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSorepHFij0
Name 1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Alternate Name(s) 1-Ethanone, 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-methyl-3-furanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]- 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(1,3-benzodioxol-5-yl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N3O4S
InChI InChI=1S/C22H17N3O4S/c1-14-17(9-10-27-14)21-23-24-22(25(21)16-5-3-2-4-6-16)30-12-18(26)15-7-8-19-20(11-15)29-13-28-19/h2-11H,12-13H2,1H3
InChIKey NSXMAJXUOMAQTA-UHFFFAOYSA-N
Molecular Weight 419.455 g/mol
SMILES C1Oc2ccc(C(CSc3[n](c(nn3)-c3c(occ3)C)-c3ccccc3)=O)cc2O1
SPLASH splash10-0002-4910100000-6df71454a1ff6f204804
Source of Spectrum IY-2-5065-4
Wiley ID 1658637