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

SpectraBase Compound ID	1Idswt6fwCI
InChI	InChI=1S/C24H26ClN7O3S2/c1-15(33)31-32-20(11-18-17-9-5-6-10-19(17)37-23(18)27-21(34)12-25)28-30-24(32)36-14-22(35)29-26-13-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,27,34)(H,29,35)(H,31,33)/b26-13+
InChIKey	MHMOMLQYLUTCPX-LGJNPRDNSA-N Google Search
Mol Weight	560.09 g/mol
Molecular Formula	C24H26ClN7O3S2
Exact Mass	559.122708 g/mol

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SpectraBase Spectrum ID	6XRqd9tM01V
Name	N-{3-[4-Acetylamino-5-(benzylidene-hydrazinocarbonylmethylsulfanyl)-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	C24H26ClN7O3S2
InChI	InChI=1S/C24H26ClN7O3S2/c1-15(33)31-32-20(11-18-17-9-5-6-10-19(17)37-23(18)27-21(34)12-25)28-30-24(32)36-14-22(35)29-26-13-16-7-3-2-4-8-16/h2-4,7-8,13H,5-6,9-12,14H2,1H3,(H,27,34)(H,29,35)(H,31,33)/b26-13+
InChIKey	MHMOMLQYLUTCPX-LGJNPRDNSA-N
Molecular Weight	560.091 g/mol
SMILES	N(\N=C\c1ccccc1)C(CSc1nnc([n]1NC(=O)C)Cc1c(sc2c1CCCC2)NC(=O)CCl)=O
SPLASH	splash10-03e9-0397180000-7b260cf7d35ee0308f80
Source of Spectrum	F2-46-2072-9l
Synonyms	2-[[4-acetamido-5-[[2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]thio]-N-[(E)-(phenylmethylene)amino]acetamide 2-[[4-acetamido-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-benzylideneamino]acetamide 2-[[4-acetamido-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-benzylideneamino]acetamide 2-[[4-acetamido-5-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(phenylmethylidene)amino]ethanamide
Wiley ID	1689575