For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-{[3''-(N-Phenyl-N-mercaptoethylamino)-5''-(p-methoxyphenyl)]isoxazol-4'-yl}-1,2,4-triazole
SpectraBase Compound ID 4UBz0zvAdr1
InChI InChI=1S/C20H19N5O2S/c1-26-16-9-7-14(8-10-16)18-17(19-21-13-22-23-19)20(24-27-18)25(11-12-28)15-5-3-2-4-6-15/h2-10,13,28H,11-12H2,1H3,(H,21,22,23)
InChIKey JBECVUWDQHZIJF-UHFFFAOYSA-N
Mol Weight 393.47 g/mol
Molecular Formula C20H19N5O2S
Exact Mass 393.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F1gIwSpl2Xn
Name 3-{[3''-(N-Phenyl-N-mercaptoethylamino)-5''-(p-methoxyphenyl)]isoxazol-4'-yl}-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19N5O2S
InChI InChI=1S/C20H19N5O2S/c1-26-16-9-7-14(8-10-16)18-17(19-21-13-22-23-19)20(24-27-18)25(11-12-28)15-5-3-2-4-6-15/h2-10,13,28H,11-12H2,1H3,(H,21,22,23)
InChIKey JBECVUWDQHZIJF-UHFFFAOYSA-N
Molecular Weight 393.465 g/mol
SMILES SCCN(c1c(-c2n[nH]cn2)c(on1)-c1ccc(cc1)OC)c1ccccc1
SPLASH splash10-000i-4900000000-2df2373f0e83fc496f36
Source of Spectrum SK-23-3222-3
Synonyms 2-{[5-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-3-yl)-3-isoxazolyl]anilino}ethanethiol 2-{[5-(4-methoxyphenyl)-4-(1H-1,2,4-triazol-3-yl)-3-isoxazolyl]anilino}ethyl hydrosulfide
Wiley ID 865847