3-Benzyl-4-methyl-5-([2-nitro-4-(trifluoromethyl)phenyl]sulfanyl)-4H-1,2,4-triazole

SpectraBase Compound ID	ITYHGCefU2L
InChI	InChI=1S/C17H13F3N4O2S/c1-23-15(9-11-5-3-2-4-6-11)21-22-16(23)27-14-8-7-12(17(18,19)20)10-13(14)24(25)26/h2-8,10H,9H2,1H3
InChIKey	RVRNSTXRWUVVSS-UHFFFAOYSA-N Google Search
Mol Weight	394.37 g/mol
Molecular Formula	C17H13F3N4O2S
Exact Mass	394.071131 g/mol

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SpectraBase Spectrum ID	5Se04UVqRNh
Name	3-Benzyl-4-methyl-5-([2-nitro-4-(trifluoromethyl)phenyl]sulfanyl)-4H-1,2,4-triazole
CAS Registry Number	298684-45-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H13F3N4O2S
InChI	InChI=1S/C17H13F3N4O2S/c1-23-15(9-11-5-3-2-4-6-11)21-22-16(23)27-14-8-7-12(17(18,19)20)10-13(14)24(25)26/h2-8,10H,9H2,1H3
InChIKey	RVRNSTXRWUVVSS-UHFFFAOYSA-N
Molecular Weight	394.372 g/mol
SMILES	c1([n](c(Cc2ccccc2)nn1)C)Sc1c(N(=O)=O)cc(C(F)(F)F)cc1
SPLASH	splash10-0007-9838000000-056931cd588ea7e6e9b6
Source of Spectrum	AD-0-2532-0
Synonyms	3-Benzyl-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole 3-Benzyl-4-methyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole 4-Methyl-3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(phenylmethyl)-1,2,4-triazole 4-Methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(phenylmethyl)-1,2,4-triazole 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-
Wiley ID	1432401