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

*Links on SpectraBase are not permalinks.
4-[anilino(sulfanyl)methylene]-5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-one
SpectraBase Compound ID I3W3H3YuP53
InChI InChI=1S/C20H16N4OS2/c1-13-17(18(26)21-15-10-6-3-7-11-15)19(25)24(23-13)20-22-16(12-27-20)14-8-4-2-5-9-14/h2-12,21,26H,1H3
InChIKey WNMJOYAPTWKEQC-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C20H16N4OS2
Exact Mass 392.076553 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 KSc3QV8SDtv
Name 4-[anilino(sulfanyl)methylene]-5-methyl-2-(4-phenylthiazol-2-yl)pyrazol-3-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N4OS2
InChI InChI=1S/C20H16N4OS2/c1-13-17(18(26)21-15-10-6-3-7-11-15)19(25)24(23-13)20-22-16(12-27-20)14-8-4-2-5-9-14/h2-12,21,26H,1H3
InChIKey WNMJOYAPTWKEQC-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 Plus
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2588
Molecular Weight 392.495 g/mol
SMILES SC(=C1C(C)=NN(C1=O)c1scc(n1)-c1ccccc1)Nc1ccccc1
SPLASH splash10-0a6u-9541000000-38152f59629f173668f1
Source of Spectrum Y-54-SM27-21b
Thin-Layer Chromatography Rf = 0.49 (petroleum ether/ethyl acetate, 3:1)
Wiley ID 1877839