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N-{3 -[2-(N'-Benzoyl-hydrazino)- 2 -oxo-ethylsulfanyl]-5-[2-(2-chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-[1,2,4]triazol-4-yl}-benzamide
SpectraBase Compound ID FKTdHerJZWO
InChI InChI=1S/C29H28ClN7O4S2/c30-16-24(38)31-28-21(20-13-7-8-14-22(20)43-28)15-23-32-35-29(37(23)36-27(41)19-11-5-2-6-12-19)42-17-25(39)33-34-26(40)18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,31,38)(H,33,39)(H,34,40)(H,36,41)
InChIKey FEGLECKDGAKPIQ-UHFFFAOYSA-N
Mol Weight 638.16 g/mol
Molecular Formula C29H28ClN7O4S2
Exact Mass 637.133272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9ymZHwfTS1
Name N-{3 -[2-(N'-Benzoyl-hydrazino)- 2 -oxo-ethylsulfanyl]-5-[2-(2-chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-[1,2,4]triazol-4-yl}-benzamide
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Formula C29H28ClN7O4S2
InChI InChI=1S/C29H28ClN7O4S2/c30-16-24(38)31-28-21(20-13-7-8-14-22(20)43-28)15-23-32-35-29(37(23)36-27(41)19-11-5-2-6-12-19)42-17-25(39)33-34-26(40)18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,31,38)(H,33,39)(H,34,40)(H,36,41)
InChIKey FEGLECKDGAKPIQ-UHFFFAOYSA-N
Molecular Weight 638.161 g/mol
SMILES N(NC(=O)c1ccccc1)C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1c(sc2c1CCCC2)NC(=O)CCl)=O
SPLASH splash10-0040-0045479000-0a80e7380277c128b496
Source of Spectrum F2-46-2072-8q
Synonyms N-[3-[[2-(benzoylhydrazo)-2-oxoethyl]thio]-5-[[2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[2-(2-benzoylhydrazino)-2-oxo-ethyl]sulfanyl-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl]sulfanyl-1,2,4-triazol-4-yl]benzamide
Wiley ID 1689579