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5-(3'-Benzoylamino-2',4',5'-thiadiazolyl)-2-(p-tolylamino)-1,4-benzoquinone
SpectraBase Compound ID 7dHBJhdiRqX
InChI InChI=1S/C22H16N4O3S/c1-13-7-9-15(10-8-13)23-19-17(28)12-11-16(27)18(19)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 NHDPNEVCRZLWEC-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C22H16N4O3S
Exact Mass 416.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jhPjvNF7ke
Name 5-(3'-Benzoylamino-2',4',5'-thiadiazolyl)-2-(p-tolylamino)-1,4-benzoquinone
Alternate Name(s) N-{5-[3,6-dioxo-2-(4-toluidino)-1,4-cyclohexadien-1-yl]-1,3,4-thiadiazol-2-yl}benzamide
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)23-19-17(28)12-11-16(27)18(19)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 NHDPNEVCRZLWEC-UHFFFAOYSA-N
Molecular Weight 416.455 g/mol
SMILES N(C1=C(c2sc(nn2)NC(=O)c2ccccc2)C(C=CC1=O)=O)c1ccc(cc1)C
SPLASH splash10-0a4i-2901100000-10ca87ebe167556ab9f8
Source of Spectrum D8-331-387-4
Wiley ID 1516602