2-propenamide, 3,3-bis[[(4-chlorophenyl)methyl]thio]-2-cyano-N-[(2-methoxyphenyl)methyl]-

SpectraBase Compound ID	70jEgWI56Ka
InChI	InChI=1S/C26H22Cl2N2O2S2/c1-32-24-5-3-2-4-20(24)15-30-25(31)23(14-29)26(33-16-18-6-10-21(27)11-7-18)34-17-19-8-12-22(28)13-9-19/h2-13H,15-17H2,1H3,(H,30,31)
InChIKey	GYMLXNCONPJGON-UHFFFAOYSA-N Google Search
Mol Weight	529.5 g/mol
Molecular Formula	C26H22Cl2N2O2S2
Exact Mass	528.049976 g/mol

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SpectraBase Spectrum ID	EmDFYSQIUH
Name	2-Propenamide, 3,3-bis[[(4-chlorophenyl)methyl]thio]-2-cyano-N-[(2-methoxyphenyl)methyl]-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	528.049975702 u
Formula	C26H22Cl2N2O2S2
InChI	InChI=1S/C26H22Cl2N2O2S2/c1-32-24-5-3-2-4-20(24)15-30-25(31)23(14-29)26(33-16-18-6-10-21(27)11-7-18)34-17-19-8-12-22(28)13-9-19/h2-13H,15-17H2,1H3,(H,30,31)
InChIKey	GYMLXNCONPJGON-UHFFFAOYSA-N
Molecular Weight	529.500 g/mol
SMILES	N(C(C(=C(SCC=1C=CC(=CC1)Cl)SCC1=CC=C(C=C1)Cl)C#N)=O)CC1=C(OC)C=CC=C1