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S1-{[1-Benzyl-3-chloro-1,6-dihydro-5-(ethylsulfanyl)-6-oxo-2-pyrazinyl}methyl]ethanethioate
SpectraBase Compound ID KKXlFJyuI1m
InChI InChI=1S/C16H17ClN2O2S2/c1-3-22-15-16(21)19(9-12-7-5-4-6-8-12)13(14(17)18-15)10-23-11(2)20/h4-8H,3,9-10H2,1-2H3
InChIKey OJAGGQMTUVVOBZ-UHFFFAOYSA-N
Mol Weight 368.9 g/mol
Molecular Formula C16H17ClN2O2S2
Exact Mass 368.041998 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95KjxPPuDyo
Name S1-{[1-Benzyl-3-chloro-1,6-dihydro-5-(ethylsulfanyl)-6-oxo-2-pyrazinyl}methyl]ethanethioate
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Formula C16H17ClN2O2S2
InChI InChI=1S/C16H17ClN2O2S2/c1-3-22-15-16(21)19(9-12-7-5-4-6-8-12)13(14(17)18-15)10-23-11(2)20/h4-8H,3,9-10H2,1-2H3
InChIKey OJAGGQMTUVVOBZ-UHFFFAOYSA-N
Molecular Weight 368.897 g/mol
SMILES C=1(N(C(C(=NC1Cl)SCC)=O)Cc1ccccc1)CSC(=O)C
SPLASH splash10-0006-9052000000-5cfd35bf28580ecd9d8b
Source of Spectrum KC-60-434-9
Synonyms Ethanethioic acid S-[[3-chloro-5-(ethylthio)-6-oxo-1-(phenylmethyl)-2-pyrazinyl]methyl] ester S-[(1-benzyl-3-chloro-5-ethylsulfanyl-6-oxopyrazin-2-yl)methyl] ethanethioate S-[(1-benzyl-3-chloro-5-ethylsulfanyl-6-oxo-pyrazin-2-yl)methyl] ethanethioate S-[[3-chloranyl-5-ethylsulfanyl-6-oxidanylidene-1-(phenylmethyl)pyrazin-2-yl]methyl] ethanethioate
Wiley ID 1583057