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3-(methylthio)-5-(benzamidinocarbonyl)-6-chloro-1,2,4-triazine
SpectraBase Compound ID FNvvfODdWSu
InChI InChI=1S/C12H10ClN5OS/c1-20-12-16-8(10(13)17-18-12)9(19)6-4-2-3-5-7(6)11(14)15/h2-5H,1H3,(H3,14,15)
InChIKey XPFBVEBYUZZJHX-UHFFFAOYSA-N
Mol Weight 307.76 g/mol
Molecular Formula C12H10ClN5OS
Exact Mass 307.029459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFyJUBNLK4u
Name 3-(methylthio)-5-(benzamidinocarbonyl)-6-chloro-1,2,4-triazine
CAS Registry Number 96259-30-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClN5OS
InChI InChI=1S/C12H10ClN5OS/c1-20-12-16-8(10(13)17-18-12)9(19)6-4-2-3-5-7(6)11(14)15/h2-5H,1H3,(H3,14,15)
InChIKey XPFBVEBYUZZJHX-UHFFFAOYSA-N
Molecular Weight 307.759 g/mol
SMILES N=C(c1c(C(c2nc(SC)nnc2Cl)=O)cccc1)N
SPLASH splash10-08fs-0953000000-e30104672bf682138f69
Source of Spectrum J-50-2296-4
Synonyms 2-{[6-chloro-3-(methylsulfanyl)-1,2,4-triazin-5-yl]carbonyl}benzenecarboximidamide
Wiley ID 1308779