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4-[.alpha.-Naphthalenylmethyl)carbonyl]-5-[(5'-phenyl-2(2H)-tetrazolyl)methyl]-1,2,4(4H)-triazole-3-thione
SpectraBase Compound ID DB8rBFZTpFl
InChI InChI=1S/C22H17N7OS/c30-20(13-15-10-11-16-6-4-5-9-18(16)12-15)29-19(23-25-22(29)31)14-28-26-21(24-27-28)17-7-2-1-3-8-17/h1-12H,13-14H2,(H,25,31)
InChIKey OEVJXNCTDPKQEV-UHFFFAOYSA-N
Mol Weight 427.49 g/mol
Molecular Formula C22H17N7OS
Exact Mass 427.121529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzlXvAHUjEB
Name 4-[.alpha.-Naphthalenylmethyl)carbonyl]-5-[(5'-phenyl-2(2H)-tetrazolyl)methyl]-1,2,4(4H)-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17N7OS
InChI InChI=1S/C22H17N7OS/c30-20(13-15-10-11-16-6-4-5-9-18(16)12-15)29-19(23-25-22(29)31)14-28-26-21(24-27-28)17-7-2-1-3-8-17/h1-12H,13-14H2,(H,25,31)
InChIKey OEVJXNCTDPKQEV-UHFFFAOYSA-N
Molecular Weight 427.486 g/mol
SMILES N1N=C(N(C1=S)C(Cc1cc2ccccc2cc1)=O)C[n]1nc(-c2ccccc2)nn1
SPLASH splash10-014l-0900000000-83971206cebb76bae139
Source of Spectrum OP-24-494-2
Wiley ID 850401