2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone

Systemtic Name: 2-(3-oxidanidyl-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone Openeye Name: 2-(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone CAS Name: 2-[(3-oxido-2-phenyl-4-quinazolin-3-iumyl)thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-(3-oxido-2-phenylquinazolin-3-ium-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone Traditional Name: 2-[(3-oxido-2-phenyl-quinazolin-3-ium-4-yl)thio]-1-(4-phenylphenyl)ethanone Formula: C28H20N2O2S MolecularWeight: 448.5356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=[N+](C(=NC4=CC=CC=C43)C5=CC=CC=C5)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=[N+](C(=NC4=CC=CC=C43)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H20N2O2S/c31-26(22-17-15-21(16-18-22)20-9-3-1-4-10-20)19-33-28-24-13-7-8-14-25(24)29-27(30(28)32)23-11-5-2-6-12-23/h1-18H,19H2