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4-([(3E)-5-Anilino-4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-ylidene]amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one

View entire compound with spectra: 1 MS (GC)

4-([(3E)-5-Anilino-4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-ylidene]amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
SpectraBase Compound ID Lt7Z3lFCBgj
InChI InChI=1S/C19H18N8OS/c1-13-16(28)27(19(29-2)24-21-13)25-18-23-22-17(20-14-9-5-3-6-10-14)26(18)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,20,22)(H,23,25)
InChIKey SJPRCHVTAWFSGU-UHFFFAOYSA-N
Mol Weight 406.47 g/mol
Molecular Formula C19H18N8OS
Exact Mass 406.132428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2978FQenfXY
Name 4-([(3E)-5-Anilino-4-phenyl-4,5-dihydro-3H-1,2,4-triazol-3-ylidene]amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
CAS Registry Number 111969-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N8OS
InChI InChI=1S/C19H18N8OS/c1-13-16(28)27(19(29-2)24-21-13)25-18-23-22-17(20-14-9-5-3-6-10-14)26(18)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,20,22)(H,23,25)
InChIKey SJPRCHVTAWFSGU-UHFFFAOYSA-N
Molecular Weight 406.468 g/mol
SMILES N(c1[n](c(nn1)Nc1ccccc1)-c1ccccc1)N1C(C(C)=NN=C1SC)=O
SPLASH splash10-00kb-9100000000-0b9a2247c14eaa25a511
Source of Spectrum F-43-795-2
Synonyms 3-Phenylamino-4-phenyl-5-(6-methyl-3-methylthio-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl)imino-4,5(3H)-dihydro-1,2,4-triazole 4-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)amino]-6-methyl-3-(methylthio)-1,2,4-triazin-5-one 4-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)amino]-6-methyl-3-methylsulfanyl-1,2,4-triazin-5-one 6-Methyl-3-methylsulfanyl-4-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)amino]-1,2,4-triazin-5-one
Wiley ID 1372010