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3-[(2-chlorobenzyl)sulfanyl]-4,5-diphenyl-4H-1,2,4-triazole
SpectraBase Compound ID 8u5XnCqzdef
InChI InChI=1S/C21H16ClN3S/c22-19-14-8-7-11-17(19)15-26-21-24-23-20(16-9-3-1-4-10-16)25(21)18-12-5-2-6-13-18/h1-14H,15H2
InChIKey XELNIWREOZZXAJ-UHFFFAOYSA-N
Mol Weight 377.89 g/mol
Molecular Formula C21H16ClN3S
Exact Mass 377.075346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vk2Osbfxb2
Name 3-[(2-chlorobenzyl)sulfanyl]-4,5-diphenyl-4H-1,2,4-triazole
Alternate Name(s) 3-[(2-chlorobenzyl)thio]-4,5-diphenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylthio]-4,5-diphenyl-1,2,4-triazole
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Formula C21H16ClN3S
InChI InChI=1S/C21H16ClN3S/c22-19-14-8-7-11-17(19)15-26-21-24-23-20(16-9-3-1-4-10-16)25(21)18-12-5-2-6-13-18/h1-14H,15H2
InChIKey XELNIWREOZZXAJ-UHFFFAOYSA-N
Molecular Weight 377.893 g/mol
SMILES c1ccc(-[n]2c(nnc2SCc2c(Cl)cccc2)-c2ccccc2)cc1
SPLASH splash10-002f-9718000000-85a5ae21f6d930f89d63
Wiley ID 1450859