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1-(4'-Chlorophenyl)-3-(2''-thienylcarbonyl)-6H-[1,2,4,5]tetrazino[3,2-b]quinazolin-6-one
SpectraBase Compound ID 75tsGiyRCPE
InChI InChI=1S/C20H12ClN5O2S/c21-12-7-9-13(10-8-12)25-20-22-15-5-2-1-4-14(15)19(28)26(20)24-18(23-25)17(27)16-6-3-11-29-16/h1-11H,(H,23,24)
InChIKey KNRVBNMLFLYYNP-UHFFFAOYSA-N
Mol Weight 421.86 g/mol
Molecular Formula C20H12ClN5O2S
Exact Mass 421.040024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KtwHIntsoT
Name 1-(4'-Chlorophenyl)-3-(2''-thienylcarbonyl)-6H-[1,2,4,5]tetrazino[3,2-b]quinazolin-6-one
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Formula C20H12ClN5O2S
InChI InChI=1S/C20H12ClN5O2S/c21-12-7-9-13(10-8-12)25-20-22-15-5-2-1-4-14(15)19(28)26(20)24-18(23-25)17(27)16-6-3-11-29-16/h1-11H,(H,23,24)
InChIKey KNRVBNMLFLYYNP-UHFFFAOYSA-N
Molecular Weight 421.862 g/mol
SMILES N1N2C(N(N=C1C(c1sccc1)=O)c1ccc(cc1)Cl)=Nc1c(C2=O)cccc1
SPLASH splash10-03di-0900300000-28aa54aebf91a61fd102
Source of Spectrum AH-132-964-6
Wiley ID 849831