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4-(3-Chloro-phenyl)-5-(2-mercapto-ethylimino)-4,5-dihydro-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 2jhJXwHTHQM
InChI InChI=1S/C13H14ClN3O2S2/c1-2-19-12(18)11-16-17(13(21-11)15-6-7-20)10-5-3-4-9(14)8-10/h3-5,8,20H,2,6-7H2,1H3/b15-13+
InChIKey RMFPVZZZTNZTRV-FYWRMAATSA-N
Mol Weight 343.85 g/mol
Molecular Formula C13H14ClN3O2S2
Exact Mass 343.021597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERxZPMkaoNI
Name 4-(3-Chloro-phenyl)-5-(2-mercapto-ethylimino)-4,5-dihydro-[1,3,4]thiadiazole-2-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (5E)-4-(3-chlorophenyl)-5-{[(E)-2-sulfanylethyl]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate Ethyl 4-(3-chlorophenyl)-5-{[2-sulfanylethyl]imino}-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
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Formula C13H14ClN3O2S2
InChI InChI=1S/C13H14ClN3O2S2/c1-2-19-12(18)11-16-17(13(21-11)15-6-7-20)10-5-3-4-9(14)8-10/h3-5,8,20H,2,6-7H2,1H3/b15-13+
InChIKey RMFPVZZZTNZTRV-FYWRMAATSA-N
Molecular Weight 343.847 g/mol
SMILES SCC\N=C\1SC(=NN1c1cccc(c1)Cl)C(OCC)=O
SPLASH splash10-0fba-3950000000-77028ee9b69ee66f8e87
Wiley ID 1511042