2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide

SpectraBase Compound ID	oVFC6T4F5B
InChI	InChI=1S/C19H21N5O2S/c1-12-10-13(2)21-19(20-12)27-11-16(25)22-17-14(3)23(4)24(18(17)26)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,22,25)
InChIKey	OTFASMKXSOBTAA-UHFFFAOYSA-N Google Search
Mol Weight	383.47 g/mol
Molecular Formula	C19H21N5O2S
Exact Mass	383.141596 g/mol

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SpectraBase Spectrum ID	1wfvCAjrrGO
Name	2-[(4,6-Dimethylpyrimidin-2-yl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	383.141596108 u
Formula	C19H21N5O2S
InChI	InChI=1S/C19H21N5O2S/c1-12-10-13(2)21-19(20-12)27-11-16(25)22-17-14(3)23(4)24(18(17)26)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3,(H,22,25)
InChIKey	OTFASMKXSOBTAA-UHFFFAOYSA-N
Molecular Weight	383.470 g/mol
SMILES	C=1(C(N(C2=CC=CC=C2)N(C1C)C)=O)NC(=O)CSC1=NC(C)=CC(=N1)C