N-{3-[2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-5-cyanomethylsulfanyl-[1,2,4]triazol-4-yl}-benzamide

SpectraBase Compound ID	18ocA0j9qRc
InChI	InChI=1S/C22H21ClN6O2S2/c23-13-19(30)25-21-16(15-8-4-5-9-17(15)33-21)12-18-26-27-22(32-11-10-24)29(18)28-20(31)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-9,11-13H2,(H,25,30)(H,28,31)
InChIKey	RASGKAMCRPNCFJ-UHFFFAOYSA-N Google Search
Mol Weight	501.02 g/mol
Molecular Formula	C22H21ClN6O2S2
Exact Mass	500.085594 g/mol

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SpectraBase Spectrum ID	5xVxKsoeNpq
Name	N-{3-[2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-5-cyanomethylsulfanyl-[1,2,4]triazol-4-yl}-benzamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H21ClN6O2S2
InChI	InChI=1S/C22H21ClN6O2S2/c23-13-19(30)25-21-16(15-8-4-5-9-17(15)33-21)12-18-26-27-22(32-11-10-24)29(18)28-20(31)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-9,11-13H2,(H,25,30)(H,28,31)
InChIKey	RASGKAMCRPNCFJ-UHFFFAOYSA-N
Molecular Weight	501.023 g/mol
SMILES	N(c1c(Cc2[n](c(nn2)SCC#N)NC(=O)c2ccccc2)c2c(s1)CCCC2)C(=O)CCl
SPLASH	splash10-0fc0-3111920000-dcd2e2b5c38241c3dbae
Source of Spectrum	F2-46-2070-5E
Synonyms	N-[3-[[2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(cyanomethylthio)-1,2,4-triazol-4-yl]benzamide N-[3-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide N-[3-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide N-[3-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide
Wiley ID	1689588