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

SpectraBase Compound ID	AmviqIFjqz7
InChI	InChI=1S/C17H18N8O3S2/c1-10(26)19-16-20-12(8-29-16)7-13-22-23-17(30-9-14(27)21-18)25(13)24-15(28)11-5-3-2-4-6-11/h2-6,8H,7,9,18H2,1H3,(H,21,27)(H,24,28)(H,19,20,26)
InChIKey	JMDKLPDVAQXYMC-UHFFFAOYSA-N Google Search
Mol Weight	446.5 g/mol
Molecular Formula	C17H18N8O3S2
Exact Mass	446.094329 g/mol

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SpectraBase Spectrum ID	JuITfVpM7a4
Name	N-{3-({2-[(Acetyl)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	C17H18N8O3S2
InChI	InChI=1S/C17H18N8O3S2/c1-10(26)19-16-20-12(8-29-16)7-13-22-23-17(30-9-14(27)21-18)25(13)24-15(28)11-5-3-2-4-6-11/h2-6,8H,7,9,18H2,1H3,(H,21,27)(H,24,28)(H,19,20,26)
InChIKey	JMDKLPDVAQXYMC-UHFFFAOYSA-N
Molecular Weight	446.504 g/mol
SMILES	N(C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)C)sc1)=O)N
SPLASH	splash10-007d-9717600000-a0ca8544876645bae42f
Source of Spectrum	EMC-42-812-6b
Synonyms	N-(3-((2-acetamidothiazol-4-yl)methyl)-5-((2-hydrazinyl-2-oxoethyl)thio)-4H-1,2,4-triazol-4-yl)benzamide N-[3-[(2-acetamido-4-thiazolyl)methyl]-5-[(2-hydrazinyl-2-oxoethyl)thio]-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamidothiazol-4-yl)methyl]-5-(2-hydrazino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[(2-acetamido-1,3-thiazol-4-yl)methyl]-5-(2-diazanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide
Wiley ID	1735094