3-(4-nitrophenyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(4-nitrophenyl)-2-(4-oxo-4-phenyl-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-[(4-oxo-4-phenylbutyl)thio]-4-quinazolinone IUPAC Name: 3-(4-nitrophenyl)-2-(4-oxo-4-phenylbutyl)sulfanylquinazolin-4-one Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-3-(4-nitrophenyl)quinazolin-4-one Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O4S/c28-22(17-7-2-1-3-8-17)11-6-16-32-24-25-21-10-5-4-9-20(21)23(29)26(24)18-12-14-19(15-13-18)27(30)31/h1-5,7-10,12-15H,6,11,16H2