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N'3,N'5-Bis(5-acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
SpectraBase Compound ID 1UOhji3gg2J
InChI InChI=1S/C35H31N9O4S2/c1-20-27(30(47)37-39-34-43(25-16-10-6-11-17-25)41-32(49-34)22(3)45)29(24-14-8-5-9-15-24)28(21(2)36-20)31(48)38-40-35-44(26-18-12-7-13-19-26)42-33(50-35)23(4)46/h5-19,29,36H,1-4H3,(H,37,47)(H,38,48)
InChIKey KEOZDAZVBSUCSX-UHFFFAOYSA-N
Mol Weight 705.8 g/mol
Molecular Formula C35H31N9O4S2
Exact Mass 705.194043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8UJCpPO41j
Name N'3,N'5-Bis(5-acetyl-3-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarbohydrazide
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Formula C35H31N9O4S2
InChI InChI=1S/C35H31N9O4S2/c1-20-27(30(47)37-39-34-43(25-16-10-6-11-17-25)41-32(49-34)22(3)45)29(24-14-8-5-9-15-24)28(21(2)36-20)31(48)38-40-35-44(26-18-12-7-13-19-26)42-33(50-35)23(4)46/h5-19,29,36H,1-4H3,(H,37,47)(H,38,48)
InChIKey KEOZDAZVBSUCSX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3300
Molecular Weight 705.812 g/mol
SMILES N1C(=C(C(C(C(=O)NN=C2SC(=NN2c2ccccc2)C(=O)C)=C1C)c1ccccc1)C(NN=C1N(N=C(S1)C(C)=O)c1ccccc1)=O)C
SPLASH splash10-0002-3039000000-9f81564e986a69765b8a
Source of Spectrum Y-55-2363-6b
Wiley ID 1878870