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4-(2-Methylphenyl)-3-phenyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazole
SpectraBase Compound ID HNdE1oyiK1g
InChI InChI=1S/C18H15N3S/c1-3-13-22-18-20-19-17(15-10-5-4-6-11-15)21(18)16-12-8-7-9-14(16)2/h1,4-12H,13H2,2H3
InChIKey VHDMOHOCBSFDAI-UHFFFAOYSA-N
Mol Weight 305.4 g/mol
Molecular Formula C18H15N3S
Exact Mass 305.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BTLVpH2A4
Name 4-(2-Methylphenyl)-3-phenyl-5-(2-propynylsulfanyl)-4H-1,2,4-triazole
CAS Registry Number 65091-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3S
InChI InChI=1S/C18H15N3S/c1-3-13-22-18-20-19-17(15-10-5-4-6-11-15)21(18)16-12-8-7-9-14(16)2/h1,4-12H,13H2,2H3
InChIKey VHDMOHOCBSFDAI-UHFFFAOYSA-N
Molecular Weight 305.399 g/mol
SMILES c1([n](c(nn1)SCC#C)-c1c(C)cccc1)-c1ccccc1
SPLASH splash10-0udi-3963000000-bdef2de98d4fe359371c
Source of Spectrum O-12-311-8
Synonyms 4-(2-Methylphenyl)-3-phenyl-5-(prop-2-ynylthio)-1,2,4-triazole 4-(2-Methylphenyl)-3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole 4-(o-tolyl)-3-phenyl-5-(propargylthio)-1,2,4-triazole 4-(o-tolyl)-3-phenyl-5-prop-2-ynylsulfanyl-1,2,4-triazole
Wiley ID 1307387