2-Benzyl-10-methyl-4-phenyl-2,3,4,10-tetrahydro-1,2,4-triazino[5,6-b]-quinoxaline-3-thione

SpectraBase Compound ID	8qfgWbqy2vC
InChI	InChI=1S/C23H19N5S/c1-26-20-15-9-8-14-19(20)24-21-22(26)25-27(16-17-10-4-2-5-11-17)23(29)28(21)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKey	JCOHVXGGGUWJGV-UHFFFAOYSA-N Google Search
Mol Weight	397.5 g/mol
Molecular Formula	C23H19N5S
Exact Mass	397.136117 g/mol

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SpectraBase Spectrum ID	8drsVG45qOI
Name	2-Benzyl-10-methyl-4-phenyl-2,3,4,10-tetrahydro-1,2,4-triazino[5,6-B]-quinoxaline-3-thione
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	397.136116806 u
Formula	C23H19N5S
InChI	InChI=1S/C23H19N5S/c1-26-20-15-9-8-14-19(20)24-21-22(26)25-27(16-17-10-4-2-5-11-17)23(29)28(21)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKey	JCOHVXGGGUWJGV-UHFFFAOYSA-N
Molecular Weight	397.500 g/mol
SMILES	C=12C(N(C3=CC=CC=C3)C(N(N1)CC=1C=CC=CC1)=S)=NC1=C(N2C)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.919848