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2-(p-Chlorophenyl)-5-methyl-4-[4-(p-nitrophenyl)thiazol-2-yl]-2,4-dihydro-1,2,4-triazole
SpectraBase Compound ID EWSOeBzIvIl
InChI InChI=1S/C18H12ClN5O3S/c1-11-21-23(14-8-4-13(19)5-9-14)18(25)22(11)17-20-16(10-28-17)12-2-6-15(7-3-12)24(26)27/h2-10H,1H3
InChIKey XTMJCAGQESLGBV-UHFFFAOYSA-N
Mol Weight 413.84 g/mol
Molecular Formula C18H12ClN5O3S
Exact Mass 413.034938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1EV8LYyYJY
Name 2-(p-Chlorophenyl)-5-methyl-4-[4-(p-nitrophenyl)thiazol-2-yl]-2,4-dihydro-1,2,4-triazole
Alternate Name(s) 1-(4-Chlorophenyl)-3-methyl-4-(4-(4-nitrophenyl)thiazol-2-yl)-1H-1,2,4-triazol-5(4H)-one 2-(4-Chlorophenyl)-5-methyl-4-[4-(4-nitrophenyl)-2-thiazolyl]-1,2,4-triazol-3-one 2-(4-Chlorophenyl)-5-methyl-4-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-1,2,4-triazol-3-one
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Formula C18H12ClN5O3S
InChI InChI=1S/C18H12ClN5O3S/c1-11-21-23(14-8-4-13(19)5-9-14)18(25)22(11)17-20-16(10-28-17)12-2-6-15(7-3-12)24(26)27/h2-10H,1H3
InChIKey XTMJCAGQESLGBV-UHFFFAOYSA-N
Molecular Weight 413.839 g/mol
SMILES C1(N(C(=NN1c1ccc(cc1)Cl)C)c1nc(-c2ccc(N(=O)=O)cc2)cs1)=O
SPLASH splash10-07vi-0930200000-60db8f214c79a93f2605
Source of Spectrum HC-47-883-1j
Wiley ID 1734154