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N'-[5-Acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide
SpectraBase Compound ID Ft2js92p5DP
InChI InChI=1S/C28H20ClN7O2S/c1-17(37)27-34-36(20-13-11-18(29)12-14-20)28(39-27)32-31-26(38)24-15-25(35(33-24)19-7-3-2-4-8-19)22-16-30-23-10-6-5-9-21(22)23/h2-16,30H,1H3,(H,31,38)/b32-28+
InChIKey MKQFJUCJLXIZCR-VEWQFJOQSA-N
Mol Weight 554.03 g/mol
Molecular Formula C28H20ClN7O2S
Exact Mass 553.108772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CC8Gs4mquMb
Name N'-[5-Acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20ClN7O2S
InChI InChI=1S/C28H20ClN7O2S/c1-17(37)27-34-36(20-13-11-18(29)12-14-20)28(39-27)32-31-26(38)24-15-25(35(33-24)19-7-3-2-4-8-19)22-16-30-23-10-6-5-9-21(22)23/h2-16,30H,1H3,(H,31,38)/b32-28+
InChIKey MKQFJUCJLXIZCR-VEWQFJOQSA-N
Molecular Weight 554.028 g/mol
SMILES N(\N=C\1SC(C(=O)C)=NN1c1ccc(cc1)Cl)C(c1n[n](c(-c2c[nH]c3c2cccc3)c1)-c1ccccc1)=O
SPLASH splash10-0006-9000000000-44e2724ceee0eceec12d
Source of Spectrum E1-58-1531-8a
Wiley ID 1661934