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1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
SpectraBase Compound ID 3zG6GukKFIb
InChI InChI=1S/C27H24N4S/c1-27(2)17-21-15-9-10-16-22(21)23(29-27)18-32-26-28-24(19-11-5-3-6-12-19)25(30-31-26)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3
InChIKey DMYHCRMUEVZSRN-UHFFFAOYSA-N
Mol Weight 436.58 g/mol
Molecular Formula C27H24N4S
Exact Mass 436.172168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH5kIYnYzaF
Name 1-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-3,3-dimethyl-4H-isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N4S
InChI InChI=1S/C27H24N4S/c1-27(2)17-21-15-9-10-16-22(21)23(29-27)18-32-26-28-24(19-11-5-3-6-12-19)25(30-31-26)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3
InChIKey DMYHCRMUEVZSRN-UHFFFAOYSA-N
Molecular Weight 436.577 g/mol
SMILES c1ccc(-c2nc(SCC3=NC(Cc4ccccc34)(C)C)nnc2-c2ccccc2)cc1
SPLASH splash10-004i-1911100000-68719b628393127fea55
Synonyms 1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-3,3-dimethyl-4H-isoquinoline 1-{[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,3-dimethyl-3,4-dihydroisoquinoline
Wiley ID 1443886