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1-[5-(dicyanomethylene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]-2-methyl-3-phenyl-isothiourea
SpectraBase Compound ID Kkzy3KJPch3
InChI InChI=1S/C15H15N7S2/c1-21-13(11(9-16)10-17)22(15(20-21)24-3)19-14(23-2)18-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,18,19)
InChIKey QVTWTTHZZLEEMR-UHFFFAOYSA-N
Mol Weight 357.45 g/mol
Molecular Formula C15H15N7S2
Exact Mass 357.083036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YrtfvSgvge
Name 1-[5-(dicyanomethylene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]-2-methyl-3-phenyl-isothiourea
CAS Registry Number 107841-19-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N7S2
InChI InChI=1S/C15H15N7S2/c1-21-13(11(9-16)10-17)22(15(20-21)24-3)19-14(23-2)18-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,18,19)
InChIKey QVTWTTHZZLEEMR-UHFFFAOYSA-N
Molecular Weight 357.454 g/mol
SMILES N(N1C(N(C)N=C1SC)=C(C#N)C#N)\C(=N\c1ccccc1)SC
SPLASH splash10-066r-0925000000-b9b87126967eb07f44b3
Source of Spectrum F-42-2127-5
Synonyms 1-[5-(dicyanomethylene)-1-methyl-3-methylsulfanyl-1,2,4-triazol-4-yl]-2-methyl-3-phenyl-isothiourea Methyl N-[5-(dicyanomethylidene)-1-methyl-3-methylsulfanyl-1,2,4-triazol-4-yl]-N'-phenyl-carbamimidothioate N-[5-(dicyanomethylidene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]-N'-phenylcarbamimidothioic acid methyl ester
Wiley ID 1346332