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2-(p-Chlorophenyl)-5-methyl-4-[4-(p-nitrophenyl)thiazol-2-yl]-2,4-dihydro-1,2,4-triazole

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAOVqbMS6xe
Name 2-(p-Chlorophenyl)-5-methyl-4-[4-(p-nitrophenyl)thiazol-2-yl]-2,4-dihydro-1,2,4-triazole
Comments Computed using HOSE algorithm
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Exact Mass 413.034938137 u
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(=NN1C1=CC=C(C=C1)Cl)C)C1=NC(C2=CC=C(N(=O)=O)C=C2)=CS1)=O