N-{3-[4-Acetylamino-5-(4-amino-5- mercapto-4H-[1,2,4]triazol-3-yl methylsulfanyl)-4H-[1,2,4]triazol-3-ylmethyl]-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl}-2-chloro-acetamide

SpectraBase Compound ID	G26PqtCaxRE
InChI	InChI=1S/C18H22ClN9O2S3/c1-9(29)26-28-13(22-25-18(28)32-8-14-23-24-17(31)27(14)20)6-11-10-4-2-3-5-12(10)33-16(11)21-15(30)7-19/h2-8,20H2,1H3,(H,21,30)(H,24,31)(H,26,29)
InChIKey	XTSAELARDYOCMM-UHFFFAOYSA-N Google Search
Mol Weight	528.07 g/mol
Molecular Formula	C18H22ClN9O2S3
Exact Mass	527.074712 g/mol

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SpectraBase Spectrum ID	43IItyQyxs
Name	N-{3-[4-Acetylamino-5-(4-amino-5- mercapto-4H-[1,2,4]triazol-3-yl methylsulfanyl)-4H-[1,2,4]triazol-3-ylmethyl]-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl}-2-chloro-acetamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H22ClN9O2S3
InChI	InChI=1S/C18H22ClN9O2S3/c1-9(29)26-28-13(22-25-18(28)32-8-14-23-24-17(31)27(14)20)6-11-10-4-2-3-5-12(10)33-16(11)21-15(30)7-19/h2-8,20H2,1H3,(H,21,30)(H,24,31)(H,26,29)
InChIKey	XTSAELARDYOCMM-UHFFFAOYSA-N
Molecular Weight	528.068 g/mol
SMILES	Sc1[n](c(CSc2nnc([n]2NC(=O)C)Cc2c(sc3c2CCCC3)NC(=O)CCl)nn1)N
SPLASH	splash10-00xs-2090620000-d46e32b319ae7056ff72
Source of Spectrum	F2-46-2073-10l
Synonyms	N-[3-[[4-acetamido-5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide N-[3-[[4-acetamido-5-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide N-[3-[[4-acetamido-5-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-acetamide N-[3-[[4-acetamido-5-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-ethanamide
Wiley ID	1689573