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

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

4-Benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 94dqwdcbVE5
InChI InChI=1S/C23H25ClN4O2S/c24-20-8-6-19(7-9-20)21-25-28(22(31)27(21)16-18-4-2-1-3-5-18)17-26-12-10-23(11-13-26)29-14-15-30-23/h1-9H,10-17H2
InChIKey NVGBGTRJMCTIJH-UHFFFAOYSA-N
Mol Weight 456.99 g/mol
Molecular Formula C23H25ClN4O2S
Exact Mass 456.138675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GteUin9JG5b
Name 4-Benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25ClN4O2S
InChI InChI=1S/C23H25ClN4O2S/c24-20-8-6-19(7-9-20)21-25-28(22(31)27(21)16-18-4-2-1-3-5-18)17-26-12-10-23(11-13-26)29-14-15-30-23/h1-9H,10-17H2
InChIKey NVGBGTRJMCTIJH-UHFFFAOYSA-N
Molecular Weight 456.992 g/mol
SMILES c1ccc(CN2C(N(CN3CCC4(CC3)OCCO4)N=C2c2ccc(cc2)Cl)=S)cc1
SPLASH splash10-0a4i-3900000000-9b09c5721e92bb195faa
Synonyms 4-Benzyl-5-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,2,4-triazole-3-thione 5-(4-Chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione
Wiley ID 1460826