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5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-1-(benzylideneamino)-1,3,4-triazol-2-thione
SpectraBase Compound ID K3ACuADGmYk
InChI InChI=1S/C25H20N6OS/c32-24-21-14-8-7-13-20(21)22(15-18-9-3-1-4-10-18)29-30(24)17-23-27-28-25(33)31(23)26-16-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,28,33)/b26-16+
InChIKey GRFMATXNAKEXGB-WGOQTCKBSA-N
Mol Weight 452.54 g/mol
Molecular Formula C25H20N6OS
Exact Mass 452.14193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3amknSr3Njv
Name 5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-1-(benzylideneamino)-1,3,4-triazol-2-thione
Alternate Name(s) 4-(Phenylmethyl)-2-[[4-[(E)-(phenylmethylene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone 4-Benzyl-2-[[4-[(E)-benzylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one 4-Benzyl-2-[[4-[(E)-benzylideneamino]-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one 4-(Phenylmethyl)-2-[[4-[(E)-(phenylmethylidene)amino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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Formula C25H20N6OS
InChI InChI=1S/C25H20N6OS/c32-24-21-14-8-7-13-20(21)22(15-18-9-3-1-4-10-18)29-30(24)17-23-27-28-25(33)31(23)26-16-19-11-5-2-6-12-19/h1-14,16H,15,17H2,(H,28,33)/b26-16+
InChIKey GRFMATXNAKEXGB-WGOQTCKBSA-N
Molecular Weight 452.536 g/mol
SMILES N1N=C(N(C1=S)\N=C\c1ccccc1)CN1N=C(Cc2ccccc2)c2c(C1=O)cccc2
SPLASH splash10-0uea-1796300000-e311ffdf74b3dea5932c
Source of Spectrum Y1-35-1071-16
Wiley ID 1526822