3-(2-Chloro-6-nitro-benzylsulfanyl)-4-methyl-5-phenyl-4H-[1,2,4]triazole

SpectraBase Compound ID	LfpBv8t1VU7
InChI	InChI=1S/C16H13ClN4O2S/c1-20-15(11-6-3-2-4-7-11)18-19-16(20)24-10-12-13(17)8-5-9-14(12)21(22)23/h2-9H,10H2,1H3
InChIKey	BTLXPJZBHOYIJH-UHFFFAOYSA-N Google Search
Mol Weight	360.82 g/mol
Molecular Formula	C16H13ClN4O2S
Exact Mass	360.044775 g/mol

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SpectraBase Spectrum ID	yHP7umKQEx
Name	3-(2-Chloro-6-nitro-benzylsulfanyl)-4-methyl-5-phenyl-4H-[1,2,4]triazole
CAS Registry Number	346638-51-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C16H13ClN4O2S
InChI	InChI=1S/C16H13ClN4O2S/c1-20-15(11-6-3-2-4-7-11)18-19-16(20)24-10-12-13(17)8-5-9-14(12)21(22)23/h2-9H,10H2,1H3
InChIKey	BTLXPJZBHOYIJH-UHFFFAOYSA-N
Molecular Weight	360.819 g/mol
SMILES	c1ccc(-c2[n](c(nn2)SCc2c(N(=O)=O)cccc2Cl)C)cc1
SPLASH	splash10-02dl-5917000000-6550f3b3183886f2f3ae
Synonyms	3-[(2-chloranyl-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole 3-[(2-chloro-6-nitro-benzyl)thio]-4-methyl-5-phenyl-1,2,4-triazole 3-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-5-phenyl-1,2,4-triazole 3-[(2-chloro-6-nitrophenyl)methylthio]-4-methyl-5-phenyl-1,2,4-triazole
Wiley ID	1462136