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4-Methyl-N-{4-[(1E)-1-{(2Z)-[3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]hydrazinylidene}ethyl]phenyl}benzenesulfonamide
SpectraBase Compound ID 4VM63HcTjP1
InChI InChI=1S/C29H24N6O4S2/c1-20-8-18-27(19-9-20)41(38,39)33-24-12-10-22(11-13-24)21(2)30-31-29-34(25-14-16-26(17-15-25)35(36)37)32-28(40-29)23-6-4-3-5-7-23/h3-19,33H,1-2H3/b30-21+,31-29-
InChIKey NTCKBWPQKZYATF-MVQWTUKHSA-N
Mol Weight 584.67 g/mol
Molecular Formula C29H24N6O4S2
Exact Mass 584.130046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nGhD4M2Wpt
Name 4-Methyl-N-{4-[(1E)-1-{(2Z)-[3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]hydrazinylidene}ethyl]phenyl}benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24N6O4S2
InChI InChI=1S/C29H24N6O4S2/c1-20-8-18-27(19-9-20)41(38,39)33-24-12-10-22(11-13-24)21(2)30-31-29-34(25-14-16-26(17-15-25)35(36)37)32-28(40-29)23-6-4-3-5-7-23/h3-19,33H,1-2H3/b30-21+,31-29-
InChIKey NTCKBWPQKZYATF-MVQWTUKHSA-N
Literature Reference DOI 10.1002/cbdv.201800231
Molecular Weight 584.669 g/mol
SMILES N(S(=O)(=O)c1ccc(C)cc1)c1ccc(\C(C)=N\N=C/2SC(c3ccccc3)=NN2c2ccc(cc2)[N+]([O-])=O)cc1
SPLASH splash10-004i-2005090000-c40cd1b612bb4a56ea1c
Source of Spectrum CBD-15-11-10b
Synonyms 4-Methyl-N-(4-((E)-1-(((Z)-3-(4-nitrophenyl)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)hydrazineylidene)ethyl)phenyl)benzenesulfonamide
Wiley ID 1813231