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2,4-Diphenyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
SpectraBase Compound ID 4S4kwdeaqs3
InChI InChI=1S/C18H15N3O3S/c1-24-17(23)15-12-16(22)20(13-8-4-2-5-9-13)18(25)21(19-15)14-10-6-3-7-11-14/h2-12,19H,1H3
InChIKey RJZAXIQYRKSPPN-UHFFFAOYSA-N
Mol Weight 353.4 g/mol
Molecular Formula C18H15N3O3S
Exact Mass 353.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAdiRy2HigN
Name 2,4-Diphenyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
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Formula C18H15N3O3S
InChI InChI=1S/C18H15N3O3S/c1-24-17(23)15-12-16(22)20(13-8-4-2-5-9-13)18(25)21(19-15)14-10-6-3-7-11-14/h2-12,19H,1H3
InChIKey RJZAXIQYRKSPPN-UHFFFAOYSA-N
Molecular Weight 353.396 g/mol
SMILES N1N(C(N(C(C=C1C(=O)OC)=O)c1ccccc1)=S)c1ccccc1
SPLASH splash10-0f6x-9562000000-d07bd689607eb00d2652
Source of Spectrum Y-45-525-7a
Synonyms 5-Oxo-2,4-diphenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylic acid methyl ester Methyl 5-oxo-2,4-diphenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Methyl 5-oxo-2,4-diphenyl-3-thioxo-1H-1,2,4-triazepine-7-carboxylate Methyl 5-oxidanylidene-2,4-diphenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate
Wiley ID 1666316