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5-[N'-[(3-chloro-benzenesulfonyl)-cyano-methylene]-hydrazino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 1IloprO7I7R
InChI InChI=1S/C15H13ClN4O4S2/c1-3-24-15(21)13-9(2)20-25-14(13)19-18-12(8-17)26(22,23)11-6-4-5-10(16)7-11/h4-7,19H,3H2,1-2H3/b18-12+
InChIKey GBJONJWLNCXVLI-LDADJPATSA-N
Mol Weight 412.87 g/mol
Molecular Formula C15H13ClN4O4S2
Exact Mass 412.006675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6olBvUcUxi5
Name 5-[N'-[(3-chloro-benzenesulfonyl)-cyano-methylene]-hydrazino]-3-methyl-isothiazole-4-carboxylic acid ethyl ester
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Formula C15H13ClN4O4S2
InChI InChI=1S/C15H13ClN4O4S2/c1-3-24-15(21)13-9(2)20-25-14(13)19-18-12(8-17)26(22,23)11-6-4-5-10(16)7-11/h4-7,19H,3H2,1-2H3/b18-12+
InChIKey GBJONJWLNCXVLI-LDADJPATSA-N
Molecular Weight 412.866 g/mol
SMILES N(c1c(c(C)ns1)C(=O)OCC)\N=C/(S(c1cc(Cl)ccc1)(=O)=O)C#N
SPLASH splash10-0006-6910100000-4a8a0d77d18cf978f178
Synonyms Ethyl 5-{(2E)-2-[[(3-chlorophenyl)sulfonyl](cyano)methylene]hydrazino}-3-methyl-4-isothiazolecarboxylate Ethyl 5-{2-[[(3-chlorophenyl)sulfonyl](cyano)methylene]hydrazino}-3-methyl-4-isothiazolecarboxylate
Wiley ID 1438825