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1-Benzyl-5-phenyl-2-mercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium

View entire compound with spectra: 1 MS (GC)

1-Benzyl-5-phenyl-2-mercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium
SpectraBase Compound ID DER0hqhK6GT
InChI InChI=1S/C22H16N4S/c27-22-24-26-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21(26)25(22)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey TXHAYVWRVYLGPP-UHFFFAOYSA-N
Mol Weight 368.46 g/mol
Molecular Formula C22H16N4S
Exact Mass 368.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPfXTPU4XJA
Name 1-Benzyl-5-phenyl-2-mercapto-1,3,4-triazolo[3,2-c]quinazolin-4-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4S
InChI InChI=1S/C22H16N4S/c27-22-24-26-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21(26)25(22)15-16-9-3-1-4-10-16/h1-14H,15H2
InChIKey TXHAYVWRVYLGPP-UHFFFAOYSA-N
Molecular Weight 368.458 g/mol
SMILES c12[n+](nc([n]2Cc2ccccc2)[S-])c(nc2ccccc12)-c1ccccc1
SPLASH splash10-0006-9144000000-a96e27f2e065fce9c78c
Source of Spectrum SO-0-882-4
Synonyms 1-Benzyl-5-phenyl-1H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate 1-Benzyl-5-phenyl-1H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-ylsulfide
Wiley ID 1538244