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1-Benzoyl-2-cyano-4-phenyl-2-quinazolinecarbodithioic acid methyl ester
SpectraBase Compound ID 7lVeg9iVQFb
InChI InChI=1S/C24H17N3OS2/c1-30-23(29)24(16-25)26-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)27(24)22(28)18-12-6-3-7-13-18/h2-15H,1H3
InChIKey GKAFHCYOKRXHOS-UHFFFAOYSA-N
Mol Weight 427.54 g/mol
Molecular Formula C24H17N3OS2
Exact Mass 427.081305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H212lXYNtQ4
Name 1-Benzoyl-2-cyano-4-phenyl-2-quinazolinecarbodithioic acid methyl ester
Alternate Name(s) 1-Benzoyl-2-cyano-4-phenyl-quinazoline-2-carbodithioic acid methyl ester Methyl 1-benzoyl-2-cyano-4-phenyl-quinazoline-2-carbodithioate Methyl 2-cyano-4-phenyl-1-(phenylcarbonyl)quinazoline-2-carbodithioate
CAS Registry Number 109271-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H17N3OS2
InChI InChI=1S/C24H17N3OS2/c1-30-23(29)24(16-25)26-21(17-10-4-2-5-11-17)19-14-8-9-15-20(19)27(24)22(28)18-12-6-3-7-13-18/h2-15H,1H3
InChIKey GKAFHCYOKRXHOS-UHFFFAOYSA-N
Molecular Weight 427.540 g/mol
SMILES C1(N(c2ccccc2C(=N1)c1ccccc1)C(=O)c1ccccc1)(C(=S)SC)C#N
SPLASH splash10-0a4i-4911000000-6f6d9741ecbf79a5b45b
Source of Spectrum KC-1986-2301-8
Wiley ID 1380404