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4-[4-(p-Bromophenyl)thiazol-2-yl]-2-(p-chlorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID BDRhg0a45pE
InChI InChI=1S/C18H12BrClN4OS/c1-11-22-24(15-8-6-14(20)7-9-15)18(25)23(11)17-21-16(10-26-17)12-2-4-13(19)5-3-12/h2-10H,1H3
InChIKey NDYJAJWFMHPBJN-UHFFFAOYSA-N
Mol Weight 447.74 g/mol
Molecular Formula C18H12BrClN4OS
Exact Mass 445.960373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Exz84y7TM4F
Name 4-[4-(p-Bromophenyl)thiazol-2-yl]-2-(p-chlorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Alternate Name(s) 4-(4-(4-bromophenyl)thiazol-2-yl)-1-(4-chlorophenyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one 4-[4-(4-bromophenyl)-2-thiazolyl]-2-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-one 4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-one
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Formula C18H12BrClN4OS
InChI InChI=1S/C18H12BrClN4OS/c1-11-22-24(15-8-6-14(20)7-9-15)18(25)23(11)17-21-16(10-26-17)12-2-4-13(19)5-3-12/h2-10H,1H3
InChIKey NDYJAJWFMHPBJN-UHFFFAOYSA-N
Molecular Weight 447.738 g/mol
SMILES C1(N(C(=NN1c1ccc(cc1)Cl)C)c1nc(-c2ccc(cc2)Br)cs1)=O
SPLASH splash10-014m-0790300000-70ef0b772ca86b290a8a
Source of Spectrum HC-47-884-1p
Wiley ID 1734148