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5-chloro-3-methylbenzo[b]thien-2-yl {{5-[(cyclopropylmethyl)thio]-1,3,4-thiadiazol-2-yl}thio}methyl ketone
SpectraBase Compound ID 7s9553pte7V
InChI InChI=1S/C17H15ClN2OS4/c1-9-12-6-11(18)4-5-14(12)24-15(9)13(21)8-23-17-20-19-16(25-17)22-7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3
InChIKey KACUDUPWUCIJOA-UHFFFAOYSA-N
Mol Weight 427.0 g/mol
Molecular Formula C17H15ClN2OS4
Exact Mass 425.975576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3HjNIaPyAi
Name 1-(5-Chloranyl-3-methyl-1-benzothiophen-2-yl)-2-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClN2OS4
InChI InChI=1S/C17H15ClN2OS4/c1-9-12-6-11(18)4-5-14(12)24-15(9)13(21)8-23-17-20-19-16(25-17)22-7-10-2-3-10/h4-6,10H,2-3,7-8H2,1H3
InChIKey KACUDUPWUCIJOA-UHFFFAOYSA-N
Molecular Weight 427.013 g/mol
SMILES c1(sc2ccc(cc2c1C)Cl)C(CSc1sc(SCC2CC2)nn1)=O
SPLASH splash10-0a4i-7693100000-629e885eeed8180b1e4e
Synonyms 1-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-2-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone 1-(5-Chloro-3-methyl-1-benzothiophen-2-yl)-2-[[5-(cyclopropylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethanone 1-(5-Chloro-3-methyl-benzothiophen-2-yl)-2-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone 1-(5-Chloro-3-methyl-benzothiophen-2-yl)-2-[[5-(cyclopropylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethanone
Wiley ID 1437569