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5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-1,3,4-oxadiazol-2-thione
SpectraBase Compound ID Jox2iNQeuLe
InChI InChI=1S/C18H14N4O2S/c23-17-14-9-5-4-8-13(14)15(10-12-6-2-1-3-7-12)21-22(17)11-16-19-20-18(25)24-16/h1-9H,10-11H2,(H,20,25)
InChIKey SLDFWSGHNPQLEV-UHFFFAOYSA-N
Mol Weight 350.4 g/mol
Molecular Formula C18H14N4O2S
Exact Mass 350.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMBv7ass9Mo
Name 5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-1,3,4-oxadiazol-2-thione
Alternate Name(s) 4-(Phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-1-phthalazinone 4-Benzyl-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one 4-(Phenylmethyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one
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Formula C18H14N4O2S
InChI InChI=1S/C18H14N4O2S/c23-17-14-9-5-4-8-13(14)15(10-12-6-2-1-3-7-12)21-22(17)11-16-19-20-18(25)24-16/h1-9H,10-11H2,(H,20,25)
InChIKey SLDFWSGHNPQLEV-UHFFFAOYSA-N
Molecular Weight 350.396 g/mol
SMILES N1C(OC(=N1)CN1N=C(Cc2ccccc2)c2c(C1=O)cccc2)=S
SPLASH splash10-0udi-2379000000-6d00ab9564452a400a4e
Source of Spectrum Y1-35-1071-14
Wiley ID 1526823