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butyl 4-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

butyl 4-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID 6fj4Tb3PIIW
InChI InChI=1S/C16H20N4O3S/c1-3-4-9-23-15(22)12-5-7-13(8-6-12)18-14(21)10-24-16-19-17-11-20(16)2/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKey RALROHZUPCWIRF-UHFFFAOYSA-N
Mol Weight 348.42 g/mol
Molecular Formula C16H20N4O3S
Exact Mass 348.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9blf5Npcecc
Name 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester
Alternate Name(s) 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Butyl 4-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate Butyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Butyl 4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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Formula C16H20N4O3S
InChI InChI=1S/C16H20N4O3S/c1-3-4-9-23-15(22)12-5-7-13(8-6-12)18-14(21)10-24-16-19-17-11-20(16)2/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKey RALROHZUPCWIRF-UHFFFAOYSA-N
Molecular Weight 348.421 g/mol
SMILES N(C(CSc1[n](cnn1)C)=O)c1ccc(C(=O)OCCCC)cc1
SPLASH splash10-052f-9200000000-d87dd59f90f1b4fcc276
Wiley ID 1452544