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N'3,N'5-Bis(5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
SpectraBase Compound ID CiRZYHzj8Ap
InChI InChI=1S/C35H29N11O8S2/c1-18-27(30(49)37-39-34-43(41-32(55-34)20(3)47)23-10-14-25(15-11-23)45(51)52)29(22-8-6-5-7-9-22)28(19(2)36-18)31(50)38-40-35-44(42-33(56-35)21(4)48)24-12-16-26(17-13-24)46(53)54/h5-17,29,36H,1-4H3,(H,37,49)(H,38,50)
InChIKey LPRWQZBLTRYZCF-UHFFFAOYSA-N
Mol Weight 795.8 g/mol
Molecular Formula C35H29N11O8S2
Exact Mass 795.164199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aask2izTTj
Name N'3,N'5-Bis(5-acetyl-3-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
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Formula C35H29N11O8S2
InChI InChI=1S/C35H29N11O8S2/c1-18-27(30(49)37-39-34-43(41-32(55-34)20(3)47)23-10-14-25(15-11-23)45(51)52)29(22-8-6-5-7-9-22)28(19(2)36-18)31(50)38-40-35-44(42-33(56-35)21(4)48)24-12-16-26(17-13-24)46(53)54/h5-17,29,36H,1-4H3,(H,37,49)(H,38,50)
InChIKey LPRWQZBLTRYZCF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 795.806 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2N(N=C(S2)C(=O)C)c2ccc(cc2)[N+]([O-])=O)=C1C)c1ccccc1)C(NN=C1SC(=NN1c1ccc(cc1)[N+]([O-])=O)C(C)=O)=O)C
SPLASH splash10-0002-1239110200-e173d7877ec002926092
Source of Spectrum Y-55-2364-6g
Wiley ID 1878875