2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-1H-quinazolin-3-ium-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-1H-quinazolin-3-ium-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-1H-quinazolin-3-ium-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-3-phenyl-1H-quinazolin-3-ium-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-phenyl-1H-quinazolin-3-ium-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-3-phenyl-1H-quinazolin-3-ium-4-one Formula: C22H16BrN2O2S+ MolecularWeight: 452.34364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(NC3=CC=CC=C3C2=O)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O2S/c23-16-12-10-15(11-13-16)20(26)14-28-22-24-19-9-5-4-8-18(19)21(27)25(22)17-6-2-1-3-7-17/h1-13H,14H2/p+1