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1(2H)-Phthalazinone, 2-[[5-mercapto-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
SpectraBase Compound ID 3C3v4FP26qO
InChI InChI=1S/C18H15N5OS/c1-12-6-2-5-9-15(12)23-16(20-21-18(23)25)11-22-17(24)14-8-4-3-7-13(14)10-19-22/h2-10H,11H2,1H3,(H,21,25)
InChIKey BWYZGMMCGIJOCE-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H15N5OS
Exact Mass 349.099731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD4xiYmsyUc
Name 1(2H)-Phthalazinone, 2-[[5-mercapto-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-
Alternate Name(s) 2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone 2-[[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N5OS
InChI InChI=1S/C18H15N5OS/c1-12-6-2-5-9-15(12)23-16(20-21-18(23)25)11-22-17(24)14-8-4-3-7-13(14)10-19-22/h2-10H,11H2,1H3,(H,21,25)
InChIKey BWYZGMMCGIJOCE-UHFFFAOYSA-N
Molecular Weight 349.412 g/mol
SMILES Sc1[n](-c2ccccc2C)c(nn1)CN1N=Cc2c(C1=O)cccc2
SPLASH splash10-00lj-8913000000-4f0a5a1ad6ad963873ec
Source of Spectrum IY-1-4533-4
Wiley ID 1653317