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3-[4-allyl-5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SpectraBase Compound ID 5uVMEzWzESq
InChI InChI=1S/C18H15ClN4O2S/c1-2-6-23-17(12-4-3-5-20-9-12)21-22-18(23)26-10-13-7-15-16(8-14(13)19)25-11-24-15/h2-5,7-9H,1,6,10-11H2
InChIKey SXEQGAJBOONBRD-UHFFFAOYSA-N
Mol Weight 386.86 g/mol
Molecular Formula C18H15ClN4O2S
Exact Mass 386.060425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96FV5xax1v7
Name 3-[4-allyl-5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
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Formula C18H15ClN4O2S
InChI InChI=1S/C18H15ClN4O2S/c1-2-6-23-17(12-4-3-5-20-9-12)21-22-18(23)26-10-13-7-15-16(8-14(13)19)25-11-24-15/h2-5,7-9H,1,6,10-11H2
InChIKey SXEQGAJBOONBRD-UHFFFAOYSA-N
Molecular Weight 386.857 g/mol
SMILES c1cncc(-c2[n](c(nn2)SCc2c(cc3c(c2)OCO3)Cl)CC=C)c1
SPLASH splash10-0uxr-6904000000-8aee1879b4ec15ee1bf0
Synonyms 3-[4-allyl-5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-1,2,4-triazol-3-yl]pyridine 3-[5-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine 3-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine 3-[5-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Wiley ID 1453152