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1,3-Di(3-methylphenyl)-2,4-bis[(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-trazin-4-yl)imino]-1,3-diazetidine
SpectraBase Compound ID IvYdVyfDSNC
InChI InChI=1S/C26H26N10O2S2/c1-15-9-7-11-19(13-15)33-23(31-35-21(37)17(3)27-29-25(35)39-5)34(20-12-8-10-16(2)14-20)24(33)32-36-22(38)18(4)28-30-26(36)40-6/h7-14H,1-6H3/b31-23-,32-24+
InChIKey QRDBCIRHWBYPQG-FNKNYVMZSA-N
Mol Weight 574.68 g/mol
Molecular Formula C26H26N10O2S2
Exact Mass 574.168162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KSSpP9VyUfC
Name 1,3-Di(3-methylphenyl)-2,4-bis[(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-trazin-4-yl)imino]-1,3-diazetidine
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Formula C26H26N10O2S2
InChI InChI=1S/C26H26N10O2S2/c1-15-9-7-11-19(13-15)33-23(31-35-21(37)17(3)27-29-25(35)39-5)34(20-12-8-10-16(2)14-20)24(33)32-36-22(38)18(4)28-30-26(36)40-6/h7-14H,1-6H3/b31-23-,32-24+
InChIKey QRDBCIRHWBYPQG-FNKNYVMZSA-N
Molecular Weight 574.682 g/mol
SMILES c1(N2\C(N(\C2=N\N2C(C(C)=NN=C2SC)=O)c2cc(C)ccc2)=N/N2C(C(C)=NN=C2SC)=O)cc(C)ccc1
SPLASH splash10-00sj-3940000000-c85c8c416743ce18e62a
Source of Spectrum KC-0-1868-8
Synonyms 6-Methyl-4-{[4-[(6-methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl)imino]-1,3-bis(3-methylphenyl)-1,3-diazetidin-2-ylidene]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Wiley ID 820531