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N'-[5'-Acetyl-3'-(p-chlorophenyl)-1',3',4'-thiadiazol-2'(3H)-ylidene]-5-(benzofuran-2"-yl)-1-phenyl-1H-pyrazole-3-(carbonyl)hydrazide
SpectraBase Compound ID BOgXGCCPF4V
InChI InChI=1S/C28H19ClN6O3S/c1-17(36)27-33-35(21-13-11-19(29)12-14-21)28(39-27)31-30-26(37)22-16-23(34(32-22)20-8-3-2-4-9-20)25-15-18-7-5-6-10-24(18)38-25/h2-16H,1H3,(H,30,37)/b31-28-
InChIKey QXFIRGMOBATNKI-PNOGMODKSA-N
Mol Weight 555.01 g/mol
Molecular Formula C28H19ClN6O3S
Exact Mass 554.092787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54PCCuPYmvw
Name N'-[5'-Acetyl-3'-(p-chlorophenyl)-1',3',4'-thiadiazol-2'(3H)-ylidene]-5-(benzofuran-2"-yl)-1-phenyl-1H-pyrazole-3-(carbonyl)hydrazide
Comments Less than 3 mono-isotopic peaks
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Formula C28H19ClN6O3S
InChI InChI=1S/C28H19ClN6O3S/c1-17(36)27-33-35(21-13-11-19(29)12-14-21)28(39-27)31-30-26(37)22-16-23(34(32-22)20-8-3-2-4-9-20)25-15-18-7-5-6-10-24(18)38-25/h2-16H,1H3,(H,30,37)/b31-28-
InChIKey QXFIRGMOBATNKI-PNOGMODKSA-N
Molecular Weight 555.012 g/mol
SMILES N(C(c1n[n](-c2ccccc2)c(c1)-c1oc2ccccc2c1)=O)\N=C/1SC(C(=O)C)=NN1c1ccc(cc1)Cl
SPLASH splash10-000i-0090080000-cc046f31e1086b6ae02b
Source of Spectrum AH-140-604-9c
Synonyms N-[(Z)-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]amino]-5-(2-benzofuranyl)-1-phenyl-3-pyrazolecarboxamide N-[(Z)-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]amino]-5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carboxamide 5-(1-benzofuran-2-yl)-N-[(Z)-[3-(4-chlorophenyl)-5-ethanoyl-1,3,4-thiadiazol-2-ylidene]amino]-1-phenyl-pyrazole-3-carboxamide
Wiley ID 1696167