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1,2-bis[5-[(2-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol

View entire compound with spectra: 1 MS (GC)

1,2-bis[5-[(2-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
SpectraBase Compound ID Djl1Tl3wcJz
InChI InChI=1S/C22H22Cl2N6O2S2/c1-29-19(25-27-21(29)33-11-13-7-3-5-9-15(13)23)17(31)18(32)20-26-28-22(30(20)2)34-12-14-8-4-6-10-16(14)24/h3-10,17-18,31-32H,11-12H2,1-2H3
InChIKey JWGDJJWTHMNQDZ-UHFFFAOYSA-N
Mol Weight 537.48 g/mol
Molecular Formula C22H22Cl2N6O2S2
Exact Mass 536.062272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNVpu1HCfX3
Name 1,2-bis[5-[(2-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
Alternate Name(s) 1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol 1,2-bis[5-[(2-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
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Formula C22H22Cl2N6O2S2
InChI InChI=1S/C22H22Cl2N6O2S2/c1-29-19(25-27-21(29)33-11-13-7-3-5-9-15(13)23)17(31)18(32)20-26-28-22(30(20)2)34-12-14-8-4-6-10-16(14)24/h3-10,17-18,31-32H,11-12H2,1-2H3
InChIKey JWGDJJWTHMNQDZ-UHFFFAOYSA-N
Molecular Weight 537.484 g/mol
SMILES OC(C(c1[n](c(SCc2c(Cl)cccc2)nn1)C)O)c1[n](c(SCc2c(Cl)cccc2)nn1)C
SPLASH splash10-00or-3690000000-221395c62bd07cfb9bbf
Wiley ID 1437358