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3-(4-Amino-5-(p-chlorophenyloxymethyl)-4H-[1,2,4]triazole-3-ylsulphanyl)-3-(5-nitrofuran-2-yl)-1-(p-chlorophenyl)propenone

View entire compound with spectra: 1 MS (GC)

3-(4-Amino-5-(p-chlorophenyloxymethyl)-4H-[1,2,4]triazole-3-ylsulphanyl)-3-(5-nitrofuran-2-yl)-1-(p-chlorophenyl)propenone
SpectraBase Compound ID hUfWAqWFcY
InChI InChI=1S/C22H15Cl2N5O5S/c23-14-3-1-13(2-4-14)17(30)11-19(18-9-10-21(34-18)29(31)32)35-22-27-26-20(28(22)25)12-33-16-7-5-15(24)6-8-16/h1-11H,12,25H2/b19-11-
InChIKey DLVWYAWFOQRFKJ-ODLFYWEKSA-N
Mol Weight 532.36 g/mol
Molecular Formula C22H15Cl2N5O5S
Exact Mass 531.017095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPykRtBRm5A
Name 3-(4-Amino-5-(p-chlorophenyloxymethyl)-4H-[1,2,4]triazole-3-ylsulphanyl)-3-(5-nitrofuran-2-yl)-1-(p-chlorophenyl)propenone
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Formula C22H15Cl2N5O5S
InChI InChI=1S/C22H15Cl2N5O5S/c23-14-3-1-13(2-4-14)17(30)11-19(18-9-10-21(34-18)29(31)32)35-22-27-26-20(28(22)25)12-33-16-7-5-15(24)6-8-16/h1-11H,12,25H2/b19-11-
InChIKey DLVWYAWFOQRFKJ-ODLFYWEKSA-N
Molecular Weight 532.358 g/mol
SMILES N[n]1c(nnc1COc1ccc(cc1)Cl)S\C(c1oc(N(=O)=O)cc1)=C\C(c1ccc(cc1)Cl)=O
SPLASH splash10-004r-0901000000-ec556ecb22ef02522112
Source of Spectrum Y1-42-3116-7
Synonyms (2Z)-3-({4-amino-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-chlorophenyl)-3-(5-nitro-2-furyl)-2-propen-1-one
Wiley ID 1565376