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5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-1-phenyl-1,3,4-triazol-2-thione
SpectraBase Compound ID JyygGZ5fjxz
InChI InChI=1S/C24H19N5OS/c30-23-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)27-28(23)16-22-25-26-24(31)29(22)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,26,31)
InChIKey ANNPHHHJHVCCNO-UHFFFAOYSA-N
Mol Weight 425.51 g/mol
Molecular Formula C24H19N5OS
Exact Mass 425.131031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sAdujyZeK
Name 5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-1-phenyl-1,3,4-triazol-2-thione
Alternate Name(s) 4-(Phenylmethyl)-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone 4-Benzyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one 4-(Phenylmethyl)-2-[(4-phenyl-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 C24H19N5OS
InChI InChI=1S/C24H19N5OS/c30-23-20-14-8-7-13-19(20)21(15-17-9-3-1-4-10-17)27-28(23)16-22-25-26-24(31)29(22)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,26,31)
InChIKey ANNPHHHJHVCCNO-UHFFFAOYSA-N
Molecular Weight 425.510 g/mol
SMILES N1C(N(C(=N1)CN1N=C(Cc2ccccc2)c2c(C1=O)cccc2)c1ccccc1)=S
SPLASH splash10-00b9-1270900000-cc1dcfe33d11fab2c9d9
Source of Spectrum Y1-35-1071-17
Wiley ID 1526821