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1H-1,2,3-Triazole-4-carboxylic acid, 5-[[(phenylmethyl)sulfonyl]methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-, ethyl ester

View entire compound with spectra: 1 MS (GC)

1H-1,2,3-Triazole-4-carboxylic acid, 5-[[(phenylmethyl)sulfonyl]methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-, ethyl ester
SpectraBase Compound ID C8AUHVpQCCd
InChI InChI=1S/C19H18N6O5S/c1-2-29-19(26)16-15(13-31(27,28)12-14-8-4-3-5-9-14)25(23-20-16)18-17(21-30-22-18)24-10-6-7-11-24/h3-11H,2,12-13H2,1H3
InChIKey PJDCRDNYDKGVKB-UHFFFAOYSA-N
Mol Weight 442.45 g/mol
Molecular Formula C19H18N6O5S
Exact Mass 442.105939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HrUgJZ36fT
Name 1H-1,2,3-Triazole-4-carboxylic acid, 5-[[(phenylmethyl)sulfonyl]methyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-, ethyl ester
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Formula C19H18N6O5S
InChI InChI=1S/C19H18N6O5S/c1-2-29-19(26)16-15(13-31(27,28)12-14-8-4-3-5-9-14)25(23-20-16)18-17(21-30-22-18)24-10-6-7-11-24/h3-11H,2,12-13H2,1H3
InChIKey PJDCRDNYDKGVKB-UHFFFAOYSA-N
Molecular Weight 442.450 g/mol
SMILES c1(nn[n](c1CS(=O)(Cc1ccccc1)=O)-c1nonc1-[n]1cccc1)C(OCC)=O
SPLASH splash10-0006-9230000000-6ebb029345a0f217723f
Source of Spectrum IY-2-5045-6
Synonyms Ethyl 5-[(phenylmethane)sulfonylmethyl]-1-[4-(1H-pyrrol-1-yl)-1,2,5-oxadiazol-3-yl]-1H-1,2,3-triazole-4-carboxylate 5-[(phenylmethyl)sulfonylmethyl]-1-[4-(1-pyrrolyl)-1,2,5-oxadiazol-3-yl]-4-triazolecarboxylic acid ethyl ester Ethyl 5-(benzylsulfonylmethyl)-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)triazole-4-carboxylate Ethyl 5-[(phenylmethyl)sulfonylmethyl]-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)-1,2,3-triazole-4-carboxylate
Wiley ID 1658439