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N-[3- (4-Acetylamino-5-hydrazinocarbonylmethylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl]-2-chloro-acetamide
SpectraBase Compound ID HtMApwyEXuB
InChI InChI=1S/C17H22ClN7O3S2/c1-9(26)24-25-13(22-23-17(25)29-8-15(28)21-19)6-11-10-4-2-3-5-12(10)30-16(11)20-14(27)7-18/h2-8,19H2,1H3,(H,20,27)(H,21,28)(H,24,26)
InChIKey KKNOSXFGCMVMNP-UHFFFAOYSA-N
Mol Weight 471.98 g/mol
Molecular Formula C17H22ClN7O3S2
Exact Mass 471.091408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZvMzEzqKjZ
Name N-[3- (4-Acetylamino-5-hydrazinocarbonylmethylsulfanyl-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 C17H22ClN7O3S2
InChI InChI=1S/C17H22ClN7O3S2/c1-9(26)24-25-13(22-23-17(25)29-8-15(28)21-19)6-11-10-4-2-3-5-12(10)30-16(11)20-14(27)7-18/h2-8,19H2,1H3,(H,20,27)(H,21,28)(H,24,26)
InChIKey KKNOSXFGCMVMNP-UHFFFAOYSA-N
Molecular Weight 471.982 g/mol
SMILES N(C(CSc1nnc([n]1NC(=O)C)Cc1c(sc2c1CCCC2)NC(=O)CCl)=O)N
SPLASH splash10-00di-5394800000-d8bc50e79eac5f736cf1
Source of Spectrum F2-46-2071-7l
Synonyms N-[3-[[4-acetamido-5-[(2-hydrazinyl-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-hydrazinyl-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-hydrazino-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-diazanyl-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-chloranyl-ethanamide
Wiley ID 1689583