For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(4-Methylphenylamino)-5-(3-benzoylamino-2,4-5-thiadiazolyl)-1,4-benzoquinone
SpectraBase Compound ID 7Yg8AW01QGe
InChI InChI=1S/C22H16N4O3S/c1-13-7-9-15(10-8-13)23-17-12-18(27)16(11-19(17)28)21-25-26-22(30-21)24-20(29)14-5-3-2-4-6-14/h2-12,23H,1H3,(H,24,26,29)
InChIKey SEMDEMGLBMGHKW-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C22H16N4O3S
Exact Mass 416.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IjXYlE5MT70
Name 2-(4-Methylphenylamino)-5-(3-benzoylamino-2,4-5-thiadiazolyl)-1,4-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O3S
InChI InChI=1S/C22H16N4O3S/c1-13-7-9-15(10-8-13)23-17-12-18(27)16(11-19(17)28)21-25-26-22(30-21)24-20(29)14-5-3-2-4-6-14/h2-12,23H,1H3,(H,24,26,29)
InChIKey SEMDEMGLBMGHKW-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-4184(199812)331_12_385
Molecular Weight 416.455 g/mol
SMILES N(C(c1ccccc1)=O)c1sc(C2=CC(C(=CC2=O)Nc2ccc(cc2)C)=O)nn1
SPLASH splash10-0a4i-2901100000-10ca87ebe167556ab9f8
Source of Spectrum APP-385-387-4d
Synonyms N-(5-(3,6-dioxo-4-(p-tolylamino)cyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl)benzamide N-[5-[4-(4-methylanilino)-3,6-dioxo-1-cyclohexa-1,4-dienyl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-(4-methylanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-(4-methylanilino)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide N-[5-[4-[(4-methylphenyl)amino]-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
Wiley ID 1770246