S-[2-[3-(4-ethanoylsulfanylquinazolin-2-yl)phenyl]quinazolin-4-yl] ethanethioate

Systemtic Name: S-[2-[3-(4-ethanoylsulfanylquinazolin-2-yl)phenyl]quinazolin-4-yl] ethanethioate Openeye Name: S-[2-[3-(4-acetylsulfanylquinazolin-2-yl)phenyl]quinazolin-4-yl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[4-(acetylthio)-2-quinazolinyl]phenyl]-4-quinazolinyl] ester IUPAC Name: S-[2-[3-(4-acetylsulfanylquinazolin-2-yl)phenyl]quinazolin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-[3-[4-(acetylthio)quinazolin-2-yl]phenyl]quinazolin-4-yl] ester Formula: C26H18N4O2S2 MolecularWeight: 482.57672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC(=NC2=CC=CC=C21)C3=CC(=CC=C3)C4=NC5=CC=CC=C5C(=N4)SC(=O)C

Isomeric SMILES

CC(=O)SC1=NC(=NC2=CC=CC=C21)C3=CC(=CC=C3)C4=NC5=CC=CC=C5C(=N4)SC(=O)C

InChI

InChI=1S/C26H18N4O2S2/c1-15(31)33-25-19-10-3-5-12-21(19)27-23(29-25)17-8-7-9-18(14-17)24-28-22-13-6-4-11-20(22)26(30-24)34-16(2)32/h3-14H,1-2H3