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7-(4-Phenyl-5-thioxo-1,2,4-triazol-3-yl)methoxy-3,4- dimethyl-2H-1-benzopyran-2-one

View entire compound with spectra: 1 MS (GC)

7-(4-Phenyl-5-thioxo-1,2,4-triazol-3-yl)methoxy-3,4- dimethyl-2H-1-benzopyran-2-one
SpectraBase Compound ID DSDEBLtpzUy
InChI InChI=1S/C20H17N3O3S/c1-12-13(2)19(24)26-17-10-15(8-9-16(12)17)25-11-18-21-22-20(27)23(18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,27)
InChIKey XZPGZRUVVRSWFA-UHFFFAOYSA-N
Mol Weight 379.43 g/mol
Molecular Formula C20H17N3O3S
Exact Mass 379.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKhqQVGjyZc
Name 7-(4-Phenyl-5-thioxo-1,2,4-triazol-3-yl)methoxy-3,4- dimethyl-2H-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O3S
InChI InChI=1S/C20H17N3O3S/c1-12-13(2)19(24)26-17-10-15(8-9-16(12)17)25-11-18-21-22-20(27)23(18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,27)
InChIKey XZPGZRUVVRSWFA-UHFFFAOYSA-N
Molecular Weight 379.434 g/mol
SMILES N1C(N(C(=N1)COc1cc2c(C(=C(C(O2)=O)C)C)cc1)c1ccccc1)=S
SPLASH splash10-01qc-5902000000-2946d6225124608b1b65
Source of Spectrum Sohair L. El-Ansary, et al. Bioorganic Chemistry, V. 53, 2014, p. 50-66
Synonyms 3,4-Dimethyl-7-((4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy)-2H-chromen-2-one
Wiley ID 1817613