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4-[[6-(4-methoxyphenyl)-6H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5-yl]methyl]benzenecarbonitrile
SpectraBase Compound ID A7ve8sp8CP2
InChI InChI=1S/C18H15N5OS/c1-24-16-8-6-15(7-9-16)17-22(23-12-20-21-18(23)25-17)11-14-4-2-13(10-19)3-5-14/h2-9,12,17H,11H2,1H3
InChIKey FTDGQBYBKVZDRF-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H15N5OS
Exact Mass 349.099731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmpnScdUPKQ
Name 4-[[6-(4-methoxyphenyl)-6H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5-yl]methyl]benzenecarbonitrile
Alternate Name(s) 4-[[6-(4-methoxyphenyl)-6H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-5-yl]methyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N5OS
InChI InChI=1S/C18H15N5OS/c1-24-16-8-6-15(7-9-16)17-22(23-12-20-21-18(23)25-17)11-14-4-2-13(10-19)3-5-14/h2-9,12,17H,11H2,1H3
InChIKey FTDGQBYBKVZDRF-UHFFFAOYSA-N
Molecular Weight 349.412 g/mol
SMILES C(c1ccc(CN2[n]3c(nnc3)SC2c2ccc(cc2)OC)cc1)#N
SPLASH splash10-00m1-8910000000-4e74ec21bd97157dd39e
Wiley ID 1511523