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5-(Methylsulfanyl)-1,3-diphenyl-1H-1,2,4-triazole

View entire compound with spectra: 1 NMR, and 2 MS (GC)

5-(Methylsulfanyl)-1,3-diphenyl-1H-1,2,4-triazole
SpectraBase Compound ID GEge6lxbYTM
InChI InChI=1S/C15H13N3S/c1-19-15-16-14(12-8-4-2-5-9-12)17-18(15)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey CSIMOTCIFKRTNS-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C15H13N3S
Exact Mass 267.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H12d5fsZue1
Name 5-(Methylsulfanyl)-1,3-diphenyl-1H-1,2,4-triazole
Alternate Name(s) 5-(methylthio)-1,3-diphenyl-1,2,4-triazole 5-Methylsulfanyl-1,3-diphenyl-1,2,4-triazole
CAS Registry Number 51384-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3S
InChI InChI=1S/C15H13N3S/c1-19-15-16-14(12-8-4-2-5-9-12)17-18(15)13-10-6-3-7-11-13/h2-11H,1H3
InChIKey CSIMOTCIFKRTNS-UHFFFAOYSA-N
Molecular Weight 267.350 g/mol
SMILES CSc1nc(-c2ccccc2)n[n]1-c1ccccc1
SPLASH splash10-014l-6390000000-219c0418ab3129bf1ac8
Source of Spectrum W5-1989-36056-29480
Wiley ID 1271198