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Thiazole, 2-methyl-4-[[[5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID ETeSusNcWXh
InChI InChI=1S/C20H17N5O2S2/c1-14-21-16(12-28-14)13-29-20-23-22-19(24(20)17-5-3-2-4-6-17)11-15-7-9-18(10-8-15)25(26)27/h2-10,12H,11,13H2,1H3
InChIKey YVPNLEHKACMRHO-UHFFFAOYSA-N
Mol Weight 423.51 g/mol
Molecular Formula C20H17N5O2S2
Exact Mass 423.082367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4d9JwNGuFwd
Name Thiazole, 2-methyl-4-[[[5-[(4-nitrophenyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-
Alternate Name(s) 2-Methyl-4-[[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiazole 2-Methyl-4-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole 2-Methyl-4-[[5-[(4-nitrophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
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Formula C20H17N5O2S2
InChI InChI=1S/C20H17N5O2S2/c1-14-21-16(12-28-14)13-29-20-23-22-19(24(20)17-5-3-2-4-6-17)11-15-7-9-18(10-8-15)25(26)27/h2-10,12H,11,13H2,1H3
InChIKey YVPNLEHKACMRHO-UHFFFAOYSA-N
Molecular Weight 423.509 g/mol
SMILES Cc1nc(cs1)CSc1nnc([n]1-c1ccccc1)Cc1ccc(cc1)N(=O)=O
SPLASH splash10-022i-9610000000-4a4a7c60dcc660cbd65e
Source of Spectrum IY-1-4534-8
Wiley ID 1653331