N-[4-(4-chloranylphenoxy)phenyl]-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

SpectraBase Compound ID	GuAnPvmIYSK
InChI	InChI=1S/C19H16ClN3O3S/c1-12-10-17(24)23-19(21-12)27-11-18(25)22-14-4-8-16(9-5-14)26-15-6-2-13(20)3-7-15/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKey	ZUEMNPRILMWAIX-UHFFFAOYSA-N Google Search
Mol Weight	401.87 g/mol
Molecular Formula	C19H16ClN3O3S
Exact Mass	401.06009 g/mol

Subscribe to view the full spectrum.

SpectraBase Spectrum ID	6678taMqbRP
Name	N-[4-(4-Chloranylphenoxy)phenyl]-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	401.060090258 u
Formula	C19H16ClN3O3S
InChI	InChI=1S/C19H16ClN3O3S/c1-12-10-17(24)23-19(21-12)27-11-18(25)22-14-4-8-16(9-5-14)26-15-6-2-13(20)3-7-15/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKey	ZUEMNPRILMWAIX-UHFFFAOYSA-N
Molecular Weight	401.868 g/mol
SMILES	CC=1C=C(N=C(N1)SCC(NC=1C=CC(OC=2C=CC(=CC2)Cl)=CC1)=O)O