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

SpectraBase Compound ID	IzmPWWmxoK3
InChI	InChI=1S/C22H24ClN7O3S2/c23-11-18(31)25-21-15(14-8-4-5-9-16(14)35-21)10-17-27-28-22(34-12-19(32)26-24)30(17)29-20(33)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,24H2,(H,25,31)(H,26,32)(H,29,33)
InChIKey	RPYUTGQONYNCSI-UHFFFAOYSA-N Google Search
Mol Weight	534.05 g/mol
Molecular Formula	C22H24ClN7O3S2
Exact Mass	533.107058 g/mol

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SpectraBase Spectrum ID	7avcFtgbJvk
Name	N-{3-[2-(2-Chloro-acetylamino)-4,5, 6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-5-hydrazinocarbonylmethylsulfanyl-[1,2,4]triazol-4-yl}-benzamide
Alternate Name(s)	N-[3-[[2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-[(2-hydrazinyl-2-oxoethyl)thio]-1,2,4-triazol-4-yl]benzamide N-[3-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-5-(2-hydrazino-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide N-[3-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(2-diazanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]benzamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H24ClN7O3S2
InChI	InChI=1S/C22H24ClN7O3S2/c23-11-18(31)25-21-15(14-8-4-5-9-16(14)35-21)10-17-27-28-22(34-12-19(32)26-24)30(17)29-20(33)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12,24H2,(H,25,31)(H,26,32)(H,29,33)
InChIKey	RPYUTGQONYNCSI-UHFFFAOYSA-N
Molecular Weight	534.053 g/mol
SMILES	N(C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1c(sc2c1CCCC2)NC(=O)CCl)=O)N
SPLASH	splash10-06y2-0692820000-bcde3726761dac298024
Source of Spectrum	F2-46-2071-7E
Wiley ID	1689584