N-(2,4-dimethylphenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

SpectraBase Compound ID	IFMHliPAfkW
InChI	InChI=1S/C25H23N3O2S/c1-16-12-13-20(18(3)14-16)26-23(29)15-31-25-27-21-10-6-5-9-19(21)24(30)28(25)22-11-7-4-8-17(22)2/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey	KGYBSUVZVPGLFR-UHFFFAOYSA-N Google Search
Mol Weight	429.54 g/mol
Molecular Formula	C25H23N3O2S
Exact Mass	429.151098 g/mol

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SpectraBase Spectrum ID	G0wRCuEVdPe
Name	N-(2,4-Dimethylphenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	429.151098165 u
Formula	C25H23N3O2S
InChI	InChI=1S/C25H23N3O2S/c1-16-12-13-20(18(3)14-16)26-23(29)15-31-25-27-21-10-6-5-9-19(21)24(30)28(25)22-11-7-4-8-17(22)2/h4-14H,15H2,1-3H3,(H,26,29)
InChIKey	KGYBSUVZVPGLFR-UHFFFAOYSA-N
Molecular Weight	429.538 g/mol
SMILES	C=1C=CC(N2C(=NC3=C(C2=O)C=CC=C3)SCC(NC=2C(=CC(=CC2)C)C)=O)=C(C)C1