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3-{[3''-(N-Phenyl-N-mercaptoethylamino)-5''-phenyl]isoxazol-4'-yl}-1,2,4-triazole
SpectraBase Compound ID ECW2GNOcUpC
InChI InChI=1S/C19H17N5OS/c26-12-11-24(15-9-5-2-6-10-15)19-16(18-20-13-21-22-18)17(25-23-19)14-7-3-1-4-8-14/h1-10,13,26H,11-12H2,(H,20,21,22)
InChIKey XSUBEJJHIHNEQO-UHFFFAOYSA-N
Mol Weight 363.44 g/mol
Molecular Formula C19H17N5OS
Exact Mass 363.115381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjOvHmHNe8O
Name 3-{[3''-(N-Phenyl-N-mercaptoethylamino)-5''-phenyl]isoxazol-4'-yl}-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N5OS
InChI InChI=1S/C19H17N5OS/c26-12-11-24(15-9-5-2-6-10-15)19-16(18-20-13-21-22-18)17(25-23-19)14-7-3-1-4-8-14/h1-10,13,26H,11-12H2,(H,20,21,22)
InChIKey XSUBEJJHIHNEQO-UHFFFAOYSA-N
Molecular Weight 363.439 g/mol
SMILES SCCN(c1c(-c2n[nH]cn2)c(on1)-c1ccccc1)c1ccccc1
SPLASH splash10-052r-1900000000-4098beff29d3af6a1c43
Source of Spectrum SK-23-3222-3
Synonyms 2-{[5-phenyl-4-(1H-1,2,4-triazol-3-yl)-3-isoxazolyl]anilino}ethanethiol 2-{[5-phenyl-4-(1H-1,2,4-triazol-3-yl)-3-isoxazolyl]anilino}ethyl hydrosulfide
Wiley ID 865849