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N-(3-[2-(N'-Chloro-acetyl-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 8JQzU2RIbID
InChI InChI=1S/C24H25Cl2N7O4S2/c25-11-19(34)27-23-16(15-8-4-5-9-17(15)39-23)10-18-28-31-24(33(18)32-20(35)12-26)38-13-21(36)29-30-22(37)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,27,34)(H,29,36)(H,30,37)(H,32,35)
InChIKey BLMFZZSIBXWMKH-UHFFFAOYSA-N
Mol Weight 610.54 g/mol
Molecular Formula C24H25Cl2N7O4S2
Exact Mass 609.07865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Mno9s7jsm
Name N-(3-[2-(N'-Chloro-acetyl-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 C24H25Cl2N7O4S2
InChI InChI=1S/C24H25Cl2N7O4S2/c25-11-19(34)27-23-16(15-8-4-5-9-17(15)39-23)10-18-28-31-24(33(18)32-20(35)12-26)38-13-21(36)29-30-22(37)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,27,34)(H,29,36)(H,30,37)(H,32,35)
InChIKey BLMFZZSIBXWMKH-UHFFFAOYSA-N
Molecular Weight 610.535 g/mol
SMILES N(NC(=O)c1ccccc1)C(CSc1nnc([n]1NC(=O)CCl)Cc1c(sc2c1CCCC2)NC(=O)CCl)=O
SPLASH splash10-03gi-0135396000-deb18f65c8ad1ffd6bb0
Source of Spectrum F2-46-2072-8U
Wiley ID 1689578