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3H-1,2,4-Triazole-3-thione, 5-butyl-2,4-dihydro-4-phenyl-
SpectraBase Compound ID G5mD567Ge4Q
InChI InChI=1S/C12H15N3S/c1-2-3-9-11-13-14-12(16)15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)
InChIKey LBIZWNXMKDHFRJ-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C12H15N3S
Exact Mass 233.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OEuRcIn90F
Name 3H-1,2,4-Triazole-3-thione, 5-butyl-2,4-dihydro-4-phenyl-
CAS Registry Number 66921-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3S
InChI InChI=1S/C12H15N3S/c1-2-3-9-11-13-14-12(16)15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,14,16)
InChIKey LBIZWNXMKDHFRJ-UHFFFAOYSA-N
Molecular Weight 233.333 g/mol
SMILES Sc1nnc(CCCC)[n]1-c1ccccc1
SPLASH splash10-001l-3490000000-2cde81c17e5721d8c823
Source of Spectrum Y-15-238-0
Synonyms 5-Butyl-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide 3-Butyl-4-phenyl-1H-1,2,4-triazole-5-thione 3-Mercapto-4-phenyl-5-butyl-1,2,4-triazole 5-Butyl-4-phenyl-4H-1,2,4-triazole-3-thiol
Wiley ID 1234842