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3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[[(2-phenyl-4-thiazolyl)methyl]thio]methyl]-
SpectraBase Compound ID HPCcfiYXhz2
InChI InChI=1S/C13H12N4OS2/c18-13-15-11(16-17-13)8-19-6-10-7-20-12(14-10)9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,15,16,17,18)
InChIKey OWFAJNCBKDLAJE-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C13H12N4OS2
Exact Mass 304.045253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2MB0fEQsk4
Name 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[[[(2-phenyl-4-thiazolyl)methyl]thio]methyl]-
Alternate Name(s) 5-[[(2-phenyl-4-thiazolyl)methylthio]methyl]-1,2-dihydro-1,2,4-triazol-3-one 5-[(2-phenylthiazol-4-yl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one 5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-1,2-dihydro-1,2,4-triazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4OS2
InChI InChI=1S/C13H12N4OS2/c18-13-15-11(16-17-13)8-19-6-10-7-20-12(14-10)9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,15,16,17,18)
InChIKey OWFAJNCBKDLAJE-UHFFFAOYSA-N
Molecular Weight 304.386 g/mol
SMILES N1N=C(NC1=O)CSCc1nc(-c2ccccc2)sc1
SPLASH splash10-004i-9800000000-50e70b15c8fdce73985d
Source of Spectrum IY-1-4428-2
Wiley ID 1652265