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4-Benzyl-2-phenyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
SpectraBase Compound ID DblXEUob4vj
InChI InChI=1S/C19H17N3O3S/c1-25-18(24)16-12-17(23)21(13-14-8-4-2-5-9-14)19(26)22(20-16)15-10-6-3-7-11-15/h2-12,20H,13H2,1H3
InChIKey MAAVQGIBOUEUFZ-UHFFFAOYSA-N
Mol Weight 367.42 g/mol
Molecular Formula C19H17N3O3S
Exact Mass 367.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R68r8C0K8D
Name 4-Benzyl-2-phenyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
Alternate Name(s) 5-Oxo-2-phenyl-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylic acid methyl ester Methyl 4-benzyl-5-oxo-2-phenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Methyl 4-benzyl-5-oxo-2-phenyl-3-thioxo-1H-1,2,4-triazepine-7-carboxylate Methyl 5-oxidanylidene-2-phenyl-4-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate
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Formula C19H17N3O3S
InChI InChI=1S/C19H17N3O3S/c1-25-18(24)16-12-17(23)21(13-14-8-4-2-5-9-14)19(26)22(20-16)15-10-6-3-7-11-15/h2-12,20H,13H2,1H3
InChIKey MAAVQGIBOUEUFZ-UHFFFAOYSA-N
Molecular Weight 367.423 g/mol
SMILES N1C(=CC(N(C(N1c1ccccc1)=S)Cc1ccccc1)=O)C(=O)OC
SPLASH splash10-066r-6759000000-40b08c6c46180c789ffb
Source of Spectrum Y-45-525-7b
Wiley ID 1666315