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

SpectraBase Compound ID	6LRMhfv4cYa
InChI	InChI=1S/C17H17ClN8O3S2/c18-7-13(27)21-16-20-11(8-30-16)6-12-23-24-17(31-9-14(28)22-19)26(12)25-15(29)10-4-2-1-3-5-10/h1-5,8H,6-7,9,19H2,(H,22,28)(H,25,29)(H,20,21,27)
InChIKey	DTDADKQWIZRVSD-UHFFFAOYSA-N Google Search
Mol Weight	480.95 g/mol
Molecular Formula	C17H17ClN8O3S2
Exact Mass	480.055356 g/mol

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SpectraBase Spectrum ID	EE7s4uCuX8T
Name	N-{3-({2-[(Chloroacetyl)amino]-1,3-thiazol-4-yl}-methyl)-5-[(2-hydrazino-2-oxoethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}benzamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H17ClN8O3S2
InChI	InChI=1S/C17H17ClN8O3S2/c18-7-13(27)21-16-20-11(8-30-16)6-12-23-24-17(31-9-14(28)22-19)26(12)25-15(29)10-4-2-1-3-5-10/h1-5,8H,6-7,9,19H2,(H,22,28)(H,25,29)(H,20,21,27)
InChIKey	DTDADKQWIZRVSD-UHFFFAOYSA-N
Molecular Weight	480.949 g/mol
SMILES	N(C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)CCl)sc1)=O)N
SPLASH	splash10-052r-2469600000-549801ef48e5cc18b97d
Source of Spectrum	EMC-42-812-6a
Synonyms	N-(3-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-5-((2-hydrazinyl-2-oxoethyl)thio)-4H-1,2,4-triazol-4-yl)benzamide N-[3-[[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]methyl]-5-[(2-hydrazinyl-2-oxoethyl)thio]-1,2,4-triazol-4-yl]benzamide N-[3-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methyl]-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[[2-[(2-chloroacetyl)amino]thiazol-4-yl]methyl]-5-(2-hydrazino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]methyl]-5-(2-diazanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide
Wiley ID	1735093