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5,6-DI-(4-METHYLPHENYL)-1,3-DIAZETO-[1',2'-A]-THIAZOLO-[4,5-D]-[1,3]-DIAZEPINE
SpectraBase Compound ID 9ojzT9uOeFd
InChI InChI=1S/C30H25N5O2S/c1-4-37-28(36)24-18-25-26(32-27(38-25)21-8-6-5-7-9-21)33-30-34(23-16-12-20(3)13-17-23)29(35(24)30)31-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b31-29+
InChIKey GJFKUBDCVWCZHU-OWWNRXNESA-N
Mol Weight 519.62 g/mol
Molecular Formula C30H25N5O2S
Exact Mass 519.172896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18uujN3CH0y
Name 5-(Ethoxycarbonyl)-7-[(4-methylphenyl)imino]-8-(4-methylphenyl)-1,3-diazeto[1',2'-a]thiazolo[thio-d][1,3]diazaepine
Alternate Name(s) Ethyl (6E)-5-(4-methylphenyl)-6-[(4-methylphenyl)imino]-2-phenyl-5,6-dihydro[1,3]diazeto[1,2-a][1,3]thiazolo[4,5-d][1,3]diazepine-8-carboxylate
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Formula C30H25N5O2S
InChI InChI=1S/C30H25N5O2S/c1-4-37-28(36)24-18-25-26(32-27(38-25)21-8-6-5-7-9-21)33-30-34(23-16-12-20(3)13-17-23)29(35(24)30)31-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b31-29+
InChIKey GJFKUBDCVWCZHU-OWWNRXNESA-N
Molecular Weight 519.623 g/mol
SMILES C1=2N(C(=Cc3sc(nc3N2)-c2ccccc2)C(=O)OCC)\C(N1c1ccc(cc1)C)=N\c1ccc(cc1)C
SPLASH splash10-00di-0090010000-963c8e94bf491635f5a7
Source of Spectrum J-58-5269-11
Wiley ID 1401840