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6-Methyl-4-([(3Z,5Z)-1-methyl-4-phenyl-5-(phenylimino)-1,2,4-triazolidin-3-ylidene]amino)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one

View entire compound with spectra: 1 MS (GC)

6-Methyl-4-([(3Z,5Z)-1-methyl-4-phenyl-5-(phenylimino)-1,2,4-triazolidin-3-ylidene]amino)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
SpectraBase Compound ID BOiJLiEFTtM
InChI InChI=1S/C20H20N8OS/c1-14-17(29)28(20(30-3)23-22-14)25-18-24-26(2)19(21-15-10-6-4-7-11-15)27(18)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,24,25)/b21-19+
InChIKey CBWMQNOZHGEYHG-XUTLUUPISA-N
Mol Weight 420.5 g/mol
Molecular Formula C20H20N8OS
Exact Mass 420.148078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3jzMja82TO
Name 6-Methyl-4-([(3Z,5Z)-1-methyl-4-phenyl-5-(phenylimino)-1,2,4-triazolidin-3-ylidene]amino)-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
CAS Registry Number 111969-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N8OS
InChI InChI=1S/C20H20N8OS/c1-14-17(29)28(20(30-3)23-22-14)25-18-24-26(2)19(21-15-10-6-4-7-11-15)27(18)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,24,25)/b21-19+
InChIKey CBWMQNOZHGEYHG-XUTLUUPISA-N
Molecular Weight 420.495 g/mol
SMILES N(N1C(C(=NN=C1SC)C)=O)C1=NN(C)\C(=N/c2ccccc2)N1c1ccccc1
SPLASH splash10-00ai-5931400000-587b705d1d4c3e447e59
Source of Spectrum F-43-796-4
Synonyms 1-Methyl-4-phenyl-5-phenylimino-3-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)imino-1H-2,3,4,5-tetrahydro-1,2,4-triazole 6-Methyl-4-{[(5Z)-1-methyl-4-phenyl-5-(phenylimino)-4,5-dihydro-1H-1,2,4-triazol-3-yl]amino}-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Wiley ID 1377837