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isopropyl 4-[({[1-(4-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID H58JKksR4g2
InChI InChI=1S/C19H18ClN5O3S/c1-12(2)28-18(27)13-3-7-15(8-4-13)21-17(26)11-29-19-22-23-24-25(19)16-9-5-14(20)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKey RPUXIXAWIKOOJY-UHFFFAOYSA-N
Mol Weight 431.9 g/mol
Molecular Formula C19H18ClN5O3S
Exact Mass 431.081888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOmX8AXtsIr
Name 4-[[2-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester
Alternate Name(s) 4-[[2-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]acetyl]amino]benzoic acid isopropyl ester Isopropyl 4-[({[1-(4-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}acetyl)amino]benzoate isopropyl 4-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate Propan-2-yl 4-[2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]benzoate Propan-2-yl 4-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoate
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Formula C19H18ClN5O3S
InChI InChI=1S/C19H18ClN5O3S/c1-12(2)28-18(27)13-3-7-15(8-4-13)21-17(26)11-29-19-22-23-24-25(19)16-9-5-14(20)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,26)
InChIKey RPUXIXAWIKOOJY-UHFFFAOYSA-N
Molecular Weight 431.898 g/mol
SMILES N(C(CSc1[n](nnn1)-c1ccc(cc1)Cl)=O)c1ccc(C(OC(C)C)=O)cc1
SPLASH splash10-0w29-2930000000-37c472103b05647f9b84
Wiley ID 1464135