N-[3-{[2-(2-Chloroacetylhydrazino)-2-oxoethyl]sulfanyl}-5-({2-[(acetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide

SpectraBase Compound ID	re8UQ957KE
InChI	InChI=1S/C19H19ClN8O4S2/c1-11(29)21-18-22-13(9-33-18)7-14-23-26-19(34-10-16(31)25-24-15(30)8-20)28(14)27-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,30)(H,25,31)(H,27,32)(H,21,22,29)
InChIKey	ZOEQGBNLXUEEQJ-UHFFFAOYSA-N Google Search
Mol Weight	522.99 g/mol
Molecular Formula	C19H19ClN8O4S2
Exact Mass	522.065921 g/mol

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SpectraBase Spectrum ID	ATMiFlSx7sc
Name	N-[3-{[2-(2-Chloroacetylhydrazino)-2-oxoethyl]sulfanyl}-5-({2-[(acetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H19ClN8O4S2
InChI	InChI=1S/C19H19ClN8O4S2/c1-11(29)21-18-22-13(9-33-18)7-14-23-26-19(34-10-16(31)25-24-15(30)8-20)28(14)27-17(32)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,24,30)(H,25,31)(H,27,32)(H,21,22,29)
InChIKey	ZOEQGBNLXUEEQJ-UHFFFAOYSA-N
Molecular Weight	522.986 g/mol
SMILES	N(C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)C)sc1)=O)NC(=O)CCl
SPLASH	splash10-000i-2384940000-9edc8e8b8938934f2934
Source of Spectrum	EMC-42-813-7j
Synonyms	N-(3-((2-acetamidothiazol-4-yl)methyl)-5-((2-(2-(2-chloroacetyl)hydrazinyl)-2-oxoethyl)thio)-4H-1,2,4-triazol-4-yl)benzamide N-[3-[(2-acetamido-4-thiazolyl)methyl]-5-[[2-[(2-chloro-1-oxoethyl)hydrazo]-2-oxoethyl]thio]-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-5-[2-[2-(2-chloroacetyl)hydrazinyl]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamidothiazol-4-yl)methyl]-5-[2-[2-(2-chloroacetyl)hydrazino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-5-[2-[2-(2-chloranylethanoyl)hydrazinyl]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-4-yl]benzamide
Wiley ID	1735099