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N'-[5'-Acetyl-3'-phenyl-1',3',4'-thiadiazol-2'(3H)-ylidene]-5-(benzofuran-2"-yl)-1-phenyl-1H-pyrazole-3-(carbonyl)hydrazide
SpectraBase Compound ID INbUMCfPZok
InChI InChI=1S/C28H20N6O3S/c1-18(35)27-32-34(21-13-6-3-7-14-21)28(38-27)30-29-26(36)22-17-23(33(31-22)20-11-4-2-5-12-20)25-16-19-10-8-9-15-24(19)37-25/h2-17H,1H3,(H,29,36)/b30-28-
InChIKey VLUCUYKOLNKGDA-HYOGKJQXSA-N
Mol Weight 520.57 g/mol
Molecular Formula C28H20N6O3S
Exact Mass 520.13176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z6vumwjU2C
Name N'-[5'-Acetyl-3'-phenyl-1',3',4'-thiadiazol-2'(3H)-ylidene]-5-(benzofuran-2"-yl)-1-phenyl-1H-pyrazole-3-(carbonyl)hydrazide
Alternate Name(s) N-[(Z)-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)amino]-5-(2-benzofuranyl)-1-phenyl-3-pyrazolecarboxamide N-[(Z)-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)amino]-5-(1-benzofuran-2-yl)-1-phenylpyrazole-3-carboxamide 5-(1-benzofuran-2-yl)-N-[(Z)-(5-ethanoyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)amino]-1-phenyl-pyrazole-3-carboxamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N6O3S
InChI InChI=1S/C28H20N6O3S/c1-18(35)27-32-34(21-13-6-3-7-14-21)28(38-27)30-29-26(36)22-17-23(33(31-22)20-11-4-2-5-12-20)25-16-19-10-8-9-15-24(19)37-25/h2-17H,1H3,(H,29,36)/b30-28-
InChIKey VLUCUYKOLNKGDA-HYOGKJQXSA-N
Molecular Weight 520.567 g/mol
SMILES N(C(c1n[n](-c2ccccc2)c(c1)-c1oc2ccccc2c1)=O)\N=C/1SC(C(=O)C)=NN1c1ccccc1
SPLASH splash10-0079-0080090000-23b810f07664df470199
Source of Spectrum AH-140-604-9a
Wiley ID 1696169