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1-Methyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl(phenyl)cyanamide
SpectraBase Compound ID Amt6RCV8BB7
InChI InChI=1S/C11H11N5S/c1-15-11(13-10(14-15)17-2)16(8-12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey SMIWZFIXZAQVKH-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C11H11N5S
Exact Mass 245.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VrKUY02oPb
Name 1-Methyl-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl(phenyl)cyanamide
CAS Registry Number 95113-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N5S
InChI InChI=1S/C11H11N5S/c1-15-11(13-10(14-15)17-2)16(8-12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey SMIWZFIXZAQVKH-UHFFFAOYSA-N
Molecular Weight 245.304 g/mol
SMILES C[n]1c(nc(n1)SC)N(C#N)c1ccccc1
SPLASH splash10-0002-9270000000-755388cff9a5b2024896
Source of Spectrum F-42-2126-4
Synonyms (2-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-phenyl-cyanamide [2-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-phenyl-cyanamide [2-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-phenylcyanamide
Wiley ID 1247808