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1-{2-[4-(3,4-Dimethylphenyl)-1(2H)-oxo-phthalazin-2-yl]acetyl}thiosemicarbazide
SpectraBase Compound ID Bx5MYsg4oNu
InChI InChI=1S/C19H19N5O2S/c1-11-7-8-13(9-12(11)2)17-14-5-3-4-6-15(14)18(26)24(23-17)10-16(25)21-22-19(20)27/h3-9H,10H2,1-2H3,(H,21,25)(H3,20,22,27)
InChIKey VPQMLMIADQGAOR-UHFFFAOYSA-N
Mol Weight 381.45 g/mol
Molecular Formula C19H19N5O2S
Exact Mass 381.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nHWwuhflO8
Name 1-{2-[4-(3,4-Dimethylphenyl)-1(2H)-oxo-phthalazin-2-yl]acetyl}thiosemicarbazide
Alternate Name(s) [[2-[4-(3,4-dimethylphenyl)-1-oxo-2-phthalazinyl]-1-oxoethyl]amino]thiourea [[2-[4-(3,4-dimethylphenyl)-1-oxophthalazin-2-yl]acetyl]amino]thiourea [[2-[4-(3,4-dimethylphenyl)-1-oxo-phthalazin-2-yl]acetyl]amino]thiourea 1-[2-[4-(3,4-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]ethanoylamino]thiourea
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Formula C19H19N5O2S
InChI InChI=1S/C19H19N5O2S/c1-11-7-8-13(9-12(11)2)17-14-5-3-4-6-15(14)18(26)24(23-17)10-16(25)21-22-19(20)27/h3-9H,10H2,1-2H3,(H,21,25)(H3,20,22,27)
InChIKey VPQMLMIADQGAOR-UHFFFAOYSA-N
Molecular Weight 381.454 g/mol
SMILES N(NC(=S)N)C(CN1N=C(c2cc(C)c(cc2)C)c2c(C1=O)cccc2)=O
SPLASH splash10-03di-0090000000-8467f6a5c31e355ff00f
Source of Spectrum F2-45-1274-9
Wiley ID 1689269