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1H-pyrido[4,3-b]indole, 5-[[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]thio]acetyl]-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-
SpectraBase Compound ID 2dbdUmGLzvw
InChI InChI=1S/C22H23ClN6OS/c1-14-3-8-19-17(11-14)18-12-27(2)10-9-20(18)28(19)21(30)13-31-22-24-25-26-29(22)16-6-4-15(23)5-7-16/h3-8,11,18,20H,9-10,12-13H2,1-2H3
InChIKey GJNBAISSZRNGTM-UHFFFAOYSA-N
Mol Weight 454.98 g/mol
Molecular Formula C22H23ClN6OS
Exact Mass 454.134258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VsdhUiFmhO
Name 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone
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Formula C22H23ClN6OS
InChI InChI=1S/C22H23ClN6OS/c1-14-3-8-19-17(11-14)18-12-27(2)10-9-20(18)28(19)21(30)13-31-22-24-25-26-29(22)16-6-4-15(23)5-7-16/h3-8,11,18,20H,9-10,12-13H2,1-2H3
InChIKey GJNBAISSZRNGTM-UHFFFAOYSA-N
Molecular Weight 454.980 g/mol
SMILES Cc1ccc2N(C(CSc3[n](nnn3)-c3ccc(cc3)Cl)=O)C3C(CN(CC3)C)c2c1
SPLASH splash10-05fu-9510000000-e6789a70368db085c6ac
Synonyms 2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone 2-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)ethanone 2-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]-1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl)ethanone
Wiley ID 1464257