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6-[4-(1H-Indol-3-yl)methyl-5-hydroxyoxazol-2-yl]-5-imino-2,4-diphenyl-1,2,4-triazine-3-thione
SpectraBase Compound ID BZfHPyPnINs
InChI InChI=1S/C27H20N6O2S/c28-24-23(25-30-22(26(34)35-25)15-17-16-29-21-14-8-7-13-20(17)21)31-33(19-11-5-2-6-12-19)27(36)32(24)18-9-3-1-4-10-18/h1-14,16,28-29,34H,15H2
InChIKey VKOGTPHVBLIESJ-UHFFFAOYSA-N
Mol Weight 492.56 g/mol
Molecular Formula C27H20N6O2S
Exact Mass 492.136845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9NEP96VTFV
Name 6-[4-(1H-Indol-3-yl)methyl-5-hydroxyoxazol-2-yl]-5-imino-2,4-diphenyl-1,2,4-triazine-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N6O2S
InChI InChI=1S/C27H20N6O2S/c28-24-23(25-30-22(26(34)35-25)15-17-16-29-21-14-8-7-13-20(17)21)31-33(19-11-5-2-6-12-19)27(36)32(24)18-9-3-1-4-10-18/h1-14,16,28-29,34H,15H2
InChIKey VKOGTPHVBLIESJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200900244
Molecular Weight 492.557 g/mol
SMILES [nH]1c2c(c(Cc3nc(C=4C(N(C(N(N4)c4ccccc4)=S)c4ccccc4)=N)oc3O)c1)cccc2
SPLASH splash10-004i-4393300000-f3ac8c3c48534976493e
Source of Spectrum APC-343-266-8
Synonyms 6-(4-((1H-indol-3-yl)methyl)-5-hydroxyoxazol-2-yl)-5-imino-2,4-diphenyl-4,5-dihydro-1,2,4-triazine-3(2H)-thione
Wiley ID 1769044