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1H-1,2,4-Triazole, 3-(methylthio)-1-[2-phenyl-1-(phenylmethyl)ethenyl]-
SpectraBase Compound ID 4RCj1yz1HHY
InChI InChI=1S/C18H17N3S/c1-22-18-19-14-21(20-18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-12,14H,13H2,1H3/b17-12+
InChIKey IZKJRWIEFAUCME-SFQUDFHCSA-N
Mol Weight 307.42 g/mol
Molecular Formula C18H17N3S
Exact Mass 307.114319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43tRakNiPWF
Name 1H-1,2,4-Triazole, 3-(methylthio)-1-[2-phenyl-1-(phenylmethyl)ethenyl]-
CAS Registry Number 112390-20-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3S
InChI InChI=1S/C18H17N3S/c1-22-18-19-14-21(20-18)17(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-12,14H,13H2,1H3/b17-12+
InChIKey IZKJRWIEFAUCME-SFQUDFHCSA-N
Molecular Weight 307.415 g/mol
SMILES c1(n[n](cn1)\C(=C\c1ccccc1)Cc1ccccc1)SC
SPLASH splash10-0006-0902000000-a147bb2cbce5bbf26370
Source of Spectrum KC-1987-1570-6
Synonyms 1-[(E)-1-benzyl-2-phenylethenyl]-1H-1,2,4-triazol-3-yl methyl sulfide 1-[(E)-1-benzyl-2-phenylethenyl]-3-(methylsulfanyl)-1H-1,2,4-triazole
Wiley ID 1309049