3-(2-chlorophenyl)-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2-chlorophenyl)-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(2-chlorophenyl)-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2-chlorophenyl)-2-[[(2-phenyl-4-quinazolinyl)thio]methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(2-chlorophenyl)-2-[(2-phenylquinazolin-4-yl)sulfanylmethyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(2-chlorophenyl)-2-[[(2-phenylquinazolin-4-yl)thio]methyl]-4aH-quinazolin-3-ium-4-one Formula: C29H20ClN4OS+ MolecularWeight: 508.0133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC4=[N+](C(=O)C5C=CC=CC5=N4)C6=CC=CC=C6Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)SCC4=[N+](C(=O)C5C=CC=CC5=N4)C6=CC=CC=C6Cl

InChI

InChI=1S/C29H20ClN4OS/c30-22-14-6-9-17-25(22)34-26(31-24-16-8-5-13-21(24)29(34)35)18-36-28-20-12-4-7-15-23(20)32-27(33-28)19-10-2-1-3-11-19/h1-17,21H,18H2/q+1