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

*Links on SpectraBase are not permalinks.
2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-5"-methyl-1",3",4"-triazol-2"-ylthio)-3'-phenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
SpectraBase Compound ID I0TZa5BV1nl
InChI InChI=1S/C21H18N6O3S/c1-13-23-24-20(26(13)22)31-19(16-6-4-3-5-7-16)12-18(28)15-8-10-17(11-9-15)27-21(29)30-14(2)25-27/h3-12H,22H2,1-2H3/b19-12-
InChIKey WZAYGOSZGDMAER-UNOMPAQXSA-N
Mol Weight 434.47 g/mol
Molecular Formula C21H18N6O3S
Exact Mass 434.11611 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 IfwZ5EdDjUw
Name 2,3-Dihydro-5-methyl-3-{p-[3'-(1"H-amino-5"-methyl-1",3",4"-triazol-2"-ylthio)-3'-phenyl-acr-1'-oyl]phenyl}-2-oxo-1,3,4-oxadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N6O3S
InChI InChI=1S/C21H18N6O3S/c1-13-23-24-20(26(13)22)31-19(16-6-4-3-5-7-16)12-18(28)15-8-10-17(11-9-15)27-21(29)30-14(2)25-27/h3-12H,22H2,1-2H3/b19-12-
InChIKey WZAYGOSZGDMAER-UNOMPAQXSA-N
Literature Reference DOI 10.1002/cjoc.200690007
Molecular Weight 434.474 g/mol
SMILES N[n]1c(S\C(=C/C(c2ccc(N3C(=O)OC(=N3)C)cc2)=O)c2ccccc2)nnc1C
SPLASH splash10-0bt9-3972800000-445c58358519f832c14e
Source of Spectrum CJC-24-132-7d
Synonyms (Z)-3-(4-(3-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-phenylacryloyl)phenyl)-5-methyl-1,3,4-oxadiazol-2(3H)-one
Wiley ID 1774203