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1H-pyrido[4,3-b]indole, 5-[[[1-(2-fluorophenyl)-1H-tetrazol-5-yl]thio]acetyl]-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-
SpectraBase Compound ID 4blrxNQnew7
InChI InChI=1S/C22H23FN6OS/c1-14-7-8-18-15(11-14)16-12-27(2)10-9-19(16)28(18)21(30)13-31-22-24-25-26-29(22)20-6-4-3-5-17(20)23/h3-8,11,16,19H,9-10,12-13H2,1-2H3
InChIKey WTMJMTUMNVSBTJ-UHFFFAOYSA-N
Mol Weight 438.53 g/mol
Molecular Formula C22H23FN6OS
Exact Mass 438.163809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TXy8YK2O2i
Name 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-ethanone
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Formula C22H23FN6OS
InChI InChI=1S/C22H23FN6OS/c1-14-7-8-18-15(11-14)16-12-27(2)10-9-19(16)28(18)21(30)13-31-22-24-25-26-29(22)20-6-4-3-5-17(20)23/h3-8,11,16,19H,9-10,12-13H2,1-2H3
InChIKey WTMJMTUMNVSBTJ-UHFFFAOYSA-N
Molecular Weight 438.525 g/mol
SMILES c1ccc(-[n]2c(nnn2)SCC(N2C3C(CN(CC3)C)c3c2ccc(C)c3)=O)c(F)c1
SPLASH splash10-0006-2950000000-e444b364e4c98c0359fe
Synonyms 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-[[1-(2-fluorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-2-[[1-(2-fluorophenyl)-5-tetrazolyl]thio]ethanone 1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl)-2-[[1-(2-fluorophenyl)tetrazol-5-yl]thio]ethanone
Wiley ID 1463923