N-[5-[3,6-diketo-4-(4-nitroanilino)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide

SpectraBase Compound ID	IhthItOcXYL
InChI	InChI=1S/C21H13N5O5S/c27-17-11-16(22-13-6-8-14(9-7-13)26(30)31)18(28)10-15(17)20-24-25-21(32-20)23-19(29)12-4-2-1-3-5-12/h1-11,22H,(H,23,25,29)
InChIKey	LMHVBAWMTKTSLW-UHFFFAOYSA-N Google Search
Mol Weight	447.43 g/mol
Molecular Formula	C21H13N5O5S
Exact Mass	447.06374 g/mol

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SpectraBase Spectrum ID	IMBl49aZU
Name	N-[5-[3,6-diketo-4-(4-nitroanilino)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
Alternate Name(s)	2-(4-Nitrophenylamino)-5-(3-benzoylamino-2,4,5-thiadiazolyl)-1,4-benzoquinone N-[5-[4-(4-nitroanilino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-(4-nitroanilino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-[(4-nitrophenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-(5-(4-((4-nitrophenyl)amino)-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide N-[5-[4-(4-nitroanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H13N5O5S
InChI	InChI=1S/C21H13N5O5S/c27-17-11-16(22-13-6-8-14(9-7-13)26(30)31)18(28)10-15(17)20-24-25-21(32-20)23-19(29)12-4-2-1-3-5-12/h1-11,22H,(H,23,25,29)
InChIKey	LMHVBAWMTKTSLW-UHFFFAOYSA-N
Literature Reference DOI	10.1002_(SICI)1521-4184(199812)331_12_385
Molecular Weight	447.425 g/mol
SMILES	N(C(c1ccccc1)=O)c1sc(C2=CC(C(=CC2=O)Nc2ccc(cc2)[N+](=O)[O-])=O)nn1
SPLASH	splash10-0a6r-7900600000-6b983c4bde2c053340cb
Source of Spectrum	APP-385-388-4g
Wiley ID	1770249