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4-(p-Chlorophenyl)-3-benzylthio-.delta.(2)-1,2,4-triazolin-5-one
SpectraBase Compound ID Goeue5yDGMM
InChI InChI=1S/C15H12ClN3OS/c16-12-6-8-13(9-7-12)19-14(20)17-18-15(19)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)
InChIKey ITLIFUAYJCBVCQ-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C15H12ClN3OS
Exact Mass 317.038961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4d2Os15MrW
Name 4-(p-Chlorophenyl)-3-benzylthio-.delta.(2)-1,2,4-triazolin-5-one
Alternate Name(s) 4-(4-Chlorophenyl)-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one 3-Benzylsulfanyl-4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one 4-(4-Chlorophenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one
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Formula C15H12ClN3OS
InChI InChI=1S/C15H12ClN3OS/c16-12-6-8-13(9-7-12)19-14(20)17-18-15(19)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,20)
InChIKey ITLIFUAYJCBVCQ-UHFFFAOYSA-N
Molecular Weight 317.794 g/mol
SMILES N1N=C(N(C1=O)c1ccc(cc1)Cl)SCc1ccccc1
SPLASH splash10-0006-9102000000-cb7fb0d86d2696f4485a
Source of Spectrum KC-57-2008-5
Wiley ID 1623243