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6-[4-(1H-Indol-3-yl)methyl-5-hydroxyoxazol-2-yl]-2,4-diphenyl-3-thioxo-1,2,4-triazin-5-one
SpectraBase Compound ID 1Snetox4SgI
InChI InChI=1S/C27H19N5O3S/c33-25-23(24-29-22(26(34)35-24)15-17-16-28-21-14-8-7-13-20(17)21)30-32(19-11-5-2-6-12-19)27(36)31(25)18-9-3-1-4-10-18/h1-14,16,28,34H,15H2
InChIKey MICOHOLCLZQAEL-UHFFFAOYSA-N
Mol Weight 493.54 g/mol
Molecular Formula C27H19N5O3S
Exact Mass 493.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZAvnxRE0u2
Name 6-[4-(1H-Indol-3-yl)methyl-5-hydroxyoxazol-2-yl]-2,4-diphenyl-3-thioxo-1,2,4-triazin-5-one
Alternate Name(s) 6-(4-((1H-indol-3-yl)methyl)-5-hydroxyoxazol-2-yl)-2,4-diphenyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
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Formula C27H19N5O3S
InChI InChI=1S/C27H19N5O3S/c33-25-23(24-29-22(26(34)35-24)15-17-16-28-21-14-8-7-13-20(17)21)30-32(19-11-5-2-6-12-19)27(36)31(25)18-9-3-1-4-10-18/h1-14,16,28,34H,15H2
InChIKey MICOHOLCLZQAEL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900244
Molecular Weight 493.541 g/mol
SMILES [nH]1c2c(c(Cc3nc(oc3O)C3=NN(C(N(C3=O)c3ccccc3)=S)c3ccccc3)c1)cccc2
SPLASH splash10-001i-3294400000-1e18117e2d6f478cd3e2
Source of Spectrum APC-343-266-9
Wiley ID 1769045