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3-(4-Chlorobenzylideneamino)-2-(2-nitrophenyl)quinazoline-4(3H)-thione
SpectraBase Compound ID 9r92TRYD39G
InChI InChI=1S/C21H13ClN4O2S/c22-15-11-9-14(10-12-15)13-23-25-20(17-6-2-4-8-19(17)26(27)28)24-18-7-3-1-5-16(18)21(25)29/h1-13H/b23-13+
InChIKey XTFIGGSTULUMGX-YDZHTSKRSA-N
Mol Weight 420.87 g/mol
Molecular Formula C21H13ClN4O2S
Exact Mass 420.044775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2c4oTtmmY2
Name 3-(4-Chlorobenzylideneamino)-2-(2-nitrophenyl)quinazoline-4(3H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13ClN4O2S
InChI InChI=1S/C21H13ClN4O2S/c22-15-11-9-14(10-12-15)13-23-25-20(17-6-2-4-8-19(17)26(27)28)24-18-7-3-1-5-16(18)21(25)29/h1-13H/b23-13+
InChIKey XTFIGGSTULUMGX-YDZHTSKRSA-N
Literature Reference DOI 10.1002/hc.10172
Molecular Weight 420.874 g/mol
SMILES c1ccc2c(c1)N=C(N(C2=S)\N=C\c1ccc(cc1)Cl)c1ccccc1[N+]([O-])=O
SPLASH splash10-0f89-0290200000-d364aa7d516871cfe572
Source of Spectrum HAC-14-586-11b
Synonyms (E)-3-((4-chlorobenzylidene)amino)-2-(2-nitrophenyl)quinazoline-4(3H)-thione
Wiley ID 1775967