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N-[3-({2-[(2E)-2-Benzylidenehydrazino]-2-oxoethyl}sulfanyl)-5-({2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamid
SpectraBase Compound ID BHNLnIqreY6
InChI InChI=1S/C24H21ClN8O3S2/c25-12-20(34)28-23-27-18(14-37-23)11-19-29-31-24(33(19)32-22(36)17-9-5-2-6-10-17)38-15-21(35)30-26-13-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2,(H,30,35)(H,32,36)(H,27,28,34)/b26-13+
InChIKey NHUPUIRYSOEJFS-LGJNPRDNSA-N
Mol Weight 569.06 g/mol
Molecular Formula C24H21ClN8O3S2
Exact Mass 568.086657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Hgq1O3mzLB
Name N-[3-({2-[(2E)-2-Benzylidenehydrazino]-2-oxoethyl}sulfanyl)-5-({2-[(chloroacetyl)amino]-1,3-thiazol-4-yl}methyl)-4H-1,2,4-triazol-4-yl]benzamid
Alternate Name(s) (E)-N-(3-((2-(2-benzylidenehydrazinyl)-2-oxoethyl)thio)-5-((2-(2-chloroacetamido)thiazol-4-yl)methyl)-4H-1,2,4-triazol-4-yl)benzamide N-[3-[[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]methyl]-5-[[2-oxo-2-[(2E)-2-(phenylmethylene)hydrazinyl]ethyl]thio]-1,2,4-triazol-4-yl]benzamide N-[3-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfanyl-5-[[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[2-[(2E)-2-benzylidenehydrazino]-2-oxo-ethyl]sulfanyl-5-[[2-[(2-chloroacetyl)amino]thiazol-4-yl]methyl]-1,2,4-triazol-4-yl]benzamide N-[3-[[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]methyl]-5-[2-oxidanylidene-2-[(2E)-2-(phenylmethylidene)hydrazinyl]ethyl]sulfanyl-1,2,4-triazol-4-yl]benzamide
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Formula C24H21ClN8O3S2
InChI InChI=1S/C24H21ClN8O3S2/c25-12-20(34)28-23-27-18(14-37-23)11-19-29-31-24(33(19)32-22(36)17-9-5-2-6-10-17)38-15-21(35)30-26-13-16-7-3-1-4-8-16/h1-10,13-14H,11-12,15H2,(H,30,35)(H,32,36)(H,27,28,34)/b26-13+
InChIKey NHUPUIRYSOEJFS-LGJNPRDNSA-N
Molecular Weight 569.058 g/mol
SMILES N(\N=C\c1ccccc1)C(CSc1nnc([n]1NC(=O)c1ccccc1)Cc1nc(NC(=O)CCl)sc1)=O
SPLASH splash10-0159-0914250000-945d5b2632c1ebdf02d0
Source of Spectrum EMC-42-814-8a
Wiley ID 1735100