6,8-bis(chloranyl)-3-phenyl-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-phenyl-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one Openeye Name: 6,8-dichloro-3-phenyl-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one CAS Name: 6,8-dichloro-3-phenyl-2-[[(2-phenyl-4-quinazolinyl)thio]methyl]-4-quinazolinone IUPAC Name: 6,8-dichloro-3-phenyl-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]quinazolin-4-one Traditional Name: 6,8-dichloro-3-phenyl-2-[[(2-phenylquinazolin-4-yl)thio]methyl]quinazolin-4-one Formula: C29H18Cl2N4OS MolecularWeight: 541.45042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC4=NC5=C(C=C(C=C5C(=O)N4C6=CC=CC=C6)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC4=NC5=C(C=C(C=C5C(=O)N4C6=CC=CC=C6)Cl)Cl

InChI

InChI=1S/C29H18Cl2N4OS/c30-19-15-22-26(23(31)16-19)33-25(35(29(22)36)20-11-5-2-6-12-20)17-37-28-21-13-7-8-14-24(21)32-27(34-28)18-9-3-1-4-10-18/h1-16H,17H2