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5-benzoyl-3-(p-methylphenyl)-2[[(E)-1,2-bis(methoxycarbonyl)vinyl]imino]-2,3-dihydro-1,3,4-thiadiazole
SpectraBase Compound ID 3Z17haroat8
InChI InChI=1S/C22H19N3O5S/c1-14-9-11-16(12-10-14)25-22(23-17(21(28)30-3)13-18(26)29-2)31-20(24-25)19(27)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+,23-22-
InChIKey UPLUFASLXPWQHZ-GWIVPVJBSA-N
Mol Weight 437.47 g/mol
Molecular Formula C22H19N3O5S
Exact Mass 437.104542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmvjNt7crRV
Name 5-benzoyl-3-(p-methylphenyl)-2[[(E)-1,2-bis(methoxycarbonyl)vinyl]imino]-2,3-dihydro-1,3,4-thiadiazole
Comments Less than 3 mono-isotopic peaks
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Formula C22H19N3O5S
InChI InChI=1S/C22H19N3O5S/c1-14-9-11-16(12-10-14)25-22(23-17(21(28)30-3)13-18(26)29-2)31-20(24-25)19(27)15-7-5-4-6-8-15/h4-13H,1-3H3/b17-13+,23-22-
InChIKey UPLUFASLXPWQHZ-GWIVPVJBSA-N
Molecular Weight 437.470 g/mol
SMILES C=1(S\C(N(N1)c1ccc(cc1)C)=N/C(=C/C(=O)OC)C(=O)OC)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-e348e1445a93bbda9457
Source of Spectrum AJ-62-216-9
Synonyms dimethyl (2E)-2-[((2Z)-5-benzoyl-3-(4-methylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene)amino]-2-butenedioate
Wiley ID 1383773