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N- (3-{4- Acetylamino-5-[2-(N' -benzoyl-hydrazino)-2-oxoethylsulfanyl]-4H -[1,2,4]triazol-3-ylmethyl}-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-chloro-acetamide
SpectraBase Compound ID HOUnC8Ufm0w
InChI InChI=1S/C24H26ClN7O4S2/c1-14(33)31-32-19(11-17-16-9-5-6-10-18(16)38-23(17)26-20(34)12-25)27-30-24(32)37-13-21(35)28-29-22(36)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,26,34)(H,28,35)(H,29,36)(H,31,33)
InChIKey FSDQIAXHAWLBNS-UHFFFAOYSA-N
Mol Weight 576.09 g/mol
Molecular Formula C24H26ClN7O4S2
Exact Mass 575.117622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rMyceTRLoe
Name N- (3-{4- Acetylamino-5-[2-(N' -benzoyl-hydrazino)-2-oxoethylsulfanyl]-4H -[1,2,4]triazol-3-ylmethyl}-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2-chloro-acetamide
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Formula C24H26ClN7O4S2
InChI InChI=1S/C24H26ClN7O4S2/c1-14(33)31-32-19(11-17-16-9-5-6-10-18(16)38-23(17)26-20(34)12-25)27-30-24(32)37-13-21(35)28-29-22(36)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3,(H,26,34)(H,28,35)(H,29,36)(H,31,33)
InChIKey FSDQIAXHAWLBNS-UHFFFAOYSA-N
Molecular Weight 576.090 g/mol
SMILES N(NC(=O)c1ccccc1)C(CSc1nnc([n]1NC(=O)C)Cc1c(sc2c1CCCC2)NC(=O)CCl)=O
SPLASH splash10-00ou-0631490000-4bb4c3841ecfb999407c
Source of Spectrum F2-46-2071-8AC
Synonyms N-[3-[[4-acetamido-5-[[2-(benzoylhydrazo)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide N-[3-[[4-acetamido-5-[2-(2-benzoylhydrazinyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloroacetamide N-[3-[[4-acetamido-5-[2-(2-benzoylhydrazino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-chloro-acetamide N-[3-[[4-acetamido-5-[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-ethanamide
Wiley ID 1689582