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5-(3'-Benzoylamino-2',4',5'-thiadiazolyl)-2-(phenylamino)-1,4-benzoquinone
SpectraBase Compound ID IKgZ4enpXW0
InChI InChI=1S/C21H14N4O3S/c26-17-12-16(22-14-9-5-2-6-10-14)18(27)11-15(17)20-24-25-21(29-20)23-19(28)13-7-3-1-4-8-13/h1-12,22H,(H,23,25,28)
InChIKey UNQFALOLNVDNTK-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C21H14N4O3S
Exact Mass 402.078661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GodtlkciOw2
Name 5-(3'-Benzoylamino-2',4',5'-thiadiazolyl)-2-(phenylamino)-1,4-benzoquinone
Alternate Name(s) N-[5-(4-anilino-3,6-dioxo-1,4-cyclohexadien-1-yl)-1,3,4-thiadiazol-2-yl]benzamide N-[5-(4-anilino-3,6-dioxo-1-cyclohexa-1,4-dienyl)-1,3,4-thiadiazol-2-yl]benzamide N-[5-(4-anilino-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl]benzamide N-[5-(4-anilino-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-1,3,4-thiadiazol-2-yl]benzamide N-[5-[3,6-bis(oxidanylidene)-4-phenylazanyl-cyclohexa-1,4-dien-1-yl]-1,3,4-thiadiazol-2-yl]benzamide
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Formula C21H14N4O3S
InChI InChI=1S/C21H14N4O3S/c26-17-12-16(22-14-9-5-2-6-10-14)18(27)11-15(17)20-24-25-21(29-20)23-19(28)13-7-3-1-4-8-13/h1-12,22H,(H,23,25,28)
InChIKey UNQFALOLNVDNTK-UHFFFAOYSA-N
Molecular Weight 402.428 g/mol
SMILES N(c1sc(C=2C(C=C(C(C2)=O)Nc2ccccc2)=O)nn1)C(=O)c1ccccc1
SPLASH splash10-0udi-1002900000-42b349bada7849ddcb83
Source of Spectrum D8-331-387-4
Wiley ID 1516603