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2-Benzyl-5-(1-methyl-5-methylthio-1,2,4-trizol-3-yl)amino-1,2,4-thiadiazole-3(2H)-one
SpectraBase Compound ID E8YkEzhz4xt
InChI InChI=1S/C13H14N6OS2/c1-18-13(21-2)15-10(17-18)14-11-16-12(20)19(22-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,16,17,20)
InChIKey GPKMIXMFJMDOBD-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C13H14N6OS2
Exact Mass 334.067051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dsww4X2OLXQ
Name 2-Benzyl-5-(1-methyl-5-methylthio-1,2,4-trizol-3-yl)amino-1,2,4-thiadiazole-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N6OS2
InChI InChI=1S/C13H14N6OS2/c1-18-13(21-2)15-10(17-18)14-11-16-12(20)19(22-11)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,16,17,20)
InChIKey GPKMIXMFJMDOBD-UHFFFAOYSA-N
Molecular Weight 334.416 g/mol
SMILES N(c1nc(SC)[n](n1)C)C1=NC(N(Cc2ccccc2)S1)=O
SPLASH splash10-0006-9401000000-425cea8994396cbe35c7
Source of Spectrum F-50-7028-33
Synonyms 2-Benzyl-5-(1-methyl-5-methylthio-1H-[1,2,4]triazol-3-ylamino)-[1,2,4]thiadiazol-3-one 2-Benzyl-5-{[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}-1,2,4-thiadiazol-3(2H)-one
Wiley ID 1330579