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4-Phenyl-2-(4'-chlorophenyl)-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
SpectraBase Compound ID BUC4Y6PknHH
InChI InChI=1S/C18H14ClN3O3S/c1-25-17(24)15-11-16(23)21(13-5-3-2-4-6-13)18(26)22(20-15)14-9-7-12(19)8-10-14/h2-11,20H,1H3
InChIKey JYKMOXCFAJOPHG-UHFFFAOYSA-N
Mol Weight 387.84 g/mol
Molecular Formula C18H14ClN3O3S
Exact Mass 387.04444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47QahRKCFHG
Name 4-Phenyl-2-(4'-chlorophenyl)-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1H-1,2,4-triazepine-7-carboxylic acid methyl ester
Alternate Name(s) 2-(4-Chlorophenyl)-5-oxo-4-phenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylic acid methyl ester Methyl 2-(4-chlorophenyl)-5-oxo-4-phenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate Methyl 2-(4-chlorophenyl)-5-oxo-4-phenyl-3-thioxo-1H-1,2,4-triazepine-7-carboxylate Methyl 2-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-3-sulfanylidene-1H-1,2,4-triazepine-7-carboxylate
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Formula C18H14ClN3O3S
InChI InChI=1S/C18H14ClN3O3S/c1-25-17(24)15-11-16(23)21(13-5-3-2-4-6-13)18(26)22(20-15)14-9-7-12(19)8-10-14/h2-11,20H,1H3
InChIKey JYKMOXCFAJOPHG-UHFFFAOYSA-N
Molecular Weight 387.841 g/mol
SMILES N1N(C(N(C(C=C1C(=O)OC)=O)c1ccccc1)=S)c1ccc(cc1)Cl
SPLASH splash10-002r-1119000000-66b130e430039255fb04
Source of Spectrum Y-45-525-7d
Wiley ID 1666313