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1,2,4-Triazin-5(4H)-one, 4,4'-[[1,3-bis(3-methoxyphenyl)-1,3-diazetidine-2,4-diylidene]dinitrilo]bis[6-methyl-3-(methylthio)-, (Z)-
SpectraBase Compound ID 9dbCy6hDbYI
InChI InChI=1S/C26H26N10O4S2/c1-15-21(37)35(25(41-5)29-27-15)31-23-33(17-9-7-11-19(13-17)39-3)24(34(23)18-10-8-12-20(14-18)40-4)32-36-22(38)16(2)28-30-26(36)42-6/h7-14H,1-6H3/b31-23-,32-24-
InChIKey CYXNXZHJJIUATG-PUHRYQSPSA-N
Mol Weight 606.68 g/mol
Molecular Formula C26H26N10O4S2
Exact Mass 606.157992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jujYTOB00a
Name 1,2,4-Triazin-5(4H)-one, 4,4'-[[1,3-bis(3-methoxyphenyl)-1,3-diazetidine-2,4-diylidene]dinitrilo]bis[6-methyl-3-(methylthio)-, (Z)-
CAS Registry Number 109107-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N10O4S2
InChI InChI=1S/C26H26N10O4S2/c1-15-21(37)35(25(41-5)29-27-15)31-23-33(17-9-7-11-19(13-17)39-3)24(34(23)18-10-8-12-20(14-18)40-4)32-36-22(38)16(2)28-30-26(36)42-6/h7-14H,1-6H3/b31-23-,32-24-
InChIKey CYXNXZHJJIUATG-PUHRYQSPSA-N
Molecular Weight 606.680 g/mol
SMILES c1(N2\C(N(\C2=N\N2C(C(C)=NN=C2SC)=O)c2cc(OC)ccc2)=N\N2C(C(C)=NN=C2SC)=O)cc(OC)ccc1
SPLASH splash10-014j-6911000000-8b3c3713996399fa621e
Source of Spectrum KC-1986-2046-23
Synonyms 1,3-Diazetidine, 1,2,4-triazin-5(4H)-one deriv. 1,3-bis-(3-methoxyphenyl)-2,4-bis(6-methyl-2-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-ylimino)-1,3-diazetidine 4-({1,3-bis(3-methoxyphenyl)-4-[(6-methyl-3-(methylsulfanyl)-5-oxo-1,2,4-triazin-4(5H)-yl)imino]-1,3-diazetidin-2-ylidene}amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Wiley ID 1410570