2-[5-(3,4-Dimethoxyphenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-[4-(1-hydroxyiminoethyl)phenyl]acetamide

SpectraBase Compound ID	5oei5q7TFHy
InChI	InChI=1S/C22H25N5O4S/c1-5-27-21(16-8-11-18(30-3)19(12-16)31-4)24-25-22(27)32-13-20(28)23-17-9-6-15(7-10-17)14(2)26-29/h6-12,29H,5,13H2,1-4H3,(H,23,28)/b26-14+
InChIKey	CZZCOOCNCKZMKV-VULFUBBASA-N Google Search
Mol Weight	455.53 g/mol
Molecular Formula	C22H25N5O4S
Exact Mass	455.162725 g/mol

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SpectraBase Spectrum ID	IABA4cg378E
Name	2-[5-(3,4-Dimethoxyphenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-[4-(1-hydroxyiminoethyl)phenyl]acetamide
Alternate Name(s)	(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(1-(hydroxyimino)ethyl)phenyl)acetamide 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-[4-[(1E)-1-hydroxyiminoethyl]phenyl]acetamide 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-N-hydroxy-C-methyl-carbonimidoyl]phenyl]acetamide 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]phenyl]ethanamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25N5O4S
InChI	InChI=1S/C22H25N5O4S/c1-5-27-21(16-8-11-18(30-3)19(12-16)31-4)24-25-22(27)32-13-20(28)23-17-9-6-15(7-10-17)14(2)26-29/h6-12,29H,5,13H2,1-4H3,(H,23,28)/b26-14+
InChIKey	CZZCOOCNCKZMKV-VULFUBBASA-N
Molecular Weight	455.533 g/mol
SMILES	N(C(CSc1[n](c(nn1)-c1cc(OC)c(cc1)OC)CC)=O)c1ccc(\C(=N\O)C)cc1
SPLASH	splash10-03di-0964200000-894baf8ce68c86c9c3e0
Source of Spectrum	EMC-71-195-7g
Wiley ID	1738926