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5-(4-Chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-(4-Chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID DNRSh68B2Y0
InChI InChI=1S/C22H23ClN4O2S/c23-18-8-6-17(7-9-18)20-24-26(21(30)27(20)19-4-2-1-3-5-19)16-25-12-10-22(11-13-25)28-14-15-29-22/h1-9H,10-16H2
InChIKey BITRTEQMOLSCLS-UHFFFAOYSA-N
Mol Weight 442.97 g/mol
Molecular Formula C22H23ClN4O2S
Exact Mass 442.123025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJE26jDtd3F
Name 5-(4-Chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
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Formula C22H23ClN4O2S
InChI InChI=1S/C22H23ClN4O2S/c23-18-8-6-17(7-9-18)20-24-26(21(30)27(20)19-4-2-1-3-5-19)16-25-12-10-22(11-13-25)28-14-15-29-22/h1-9H,10-16H2
InChIKey BITRTEQMOLSCLS-UHFFFAOYSA-N
Molecular Weight 442.965 g/mol
SMILES c1ccc(N2C(N(N=C2c2ccc(cc2)Cl)CN2CCC3(CC2)OCCO3)=S)cc1
SPLASH splash10-0a4i-3920000000-ea3536487136c1c7bd3c
Synonyms 5-(4-Chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Wiley ID 1460819