3-(4-chlorobenzyl)-7-[5-(4-nitrophenyl)-2-furyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

SpectraBase Compound ID	6ePUMlteVr5
InChI	InChI=1S/C21H12ClN5O4S/c22-14-5-1-12(2-6-14)11-16-20(28)26-21(24-23-16)32-19(25-26)18-10-9-17(31-18)13-3-7-15(8-4-13)27(29)30/h1-10H,11H2
InChIKey	JXTLSRKIPOZVQM-UHFFFAOYSA-N Google Search
Mol Weight	465.87 g/mol
Molecular Formula	C21H12ClN5O4S
Exact Mass	465.029853 g/mol

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SpectraBase Spectrum ID	CNqx5nkVhnE
Name	3-(4-chlorobenzyl)-7-[5-(4-nitrophenyl)-2-furyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H12ClN5O4S
InChI	InChI=1S/C21H12ClN5O4S/c22-14-5-1-12(2-6-14)11-16-20(28)26-21(24-23-16)32-19(25-26)18-10-9-17(31-18)13-3-7-15(8-4-13)27(29)30/h1-10H,11H2
InChIKey	JXTLSRKIPOZVQM-UHFFFAOYSA-N
Molecular Weight	465.871 g/mol
SMILES	C12=NN=C(C(N2N=C(S1)c1oc(cc1)-c1ccc(cc1)N(=O)=O)=O)Cc1ccc(cc1)Cl
SPLASH	splash10-014i-0000900000-e741bebd24a98468289a
Source of Spectrum	Y1-41-2691-3
Synonyms	3-[(4-chlorophenyl)methyl]-7-[5-(4-nitrophenyl)-2-furanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 3-[(4-chlorophenyl)methyl]-7-[5-(4-nitrophenyl)-2-furyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 3-[(4-chlorophenyl)methyl]-7-[5-(4-nitrophenyl)furan-2-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Wiley ID	1565124