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Benzoic acid, 3-[(4-methyl-4H-1,2,4-triazol-3-ylthio)acetylamino]-, isopropyl ester
SpectraBase Compound ID 5is9Ay9J7Pm
InChI InChI=1S/C15H18N4O3S/c1-10(2)22-14(21)11-5-4-6-12(7-11)17-13(20)8-23-15-18-16-9-19(15)3/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKey XHBKDJWUSJORAM-UHFFFAOYSA-N
Mol Weight 334.39 g/mol
Molecular Formula C15H18N4O3S
Exact Mass 334.109962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXKRtpGN3NB
Name Benzoic acid, 3-[(4-methyl-4H-1,2,4-triazol-3-ylthio)acetylamino]-, isopropyl ester
Alternate Name(s) 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Isopropyl 3-(([(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl)amino)benzoate isopropyl 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Propan-2-yl 3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Propan-2-yl 3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
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Formula C15H18N4O3S
InChI InChI=1S/C15H18N4O3S/c1-10(2)22-14(21)11-5-4-6-12(7-11)17-13(20)8-23-15-18-16-9-19(15)3/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKey XHBKDJWUSJORAM-UHFFFAOYSA-N
Molecular Weight 334.394 g/mol
SMILES N(C(CSc1[n](cnn1)C)=O)c1cc(C(OC(C)C)=O)ccc1
SPLASH splash10-004i-5900000000-6c509820fc734b8e7194
Wiley ID 1456042