3-(4-nitrophenyl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-nitrophenyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-(4-nitrophenyl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-(4-nitrophenyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(4-nitrophenyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-(4-nitrophenyl)-2-(phenacylthio)quinazolin-4-one Formula: C22H15N3O4S MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O4S/c26-20(15-6-2-1-3-7-15)14-30-22-23-19-9-5-4-8-18(19)21(27)24(22)16-10-12-17(13-11-16)25(28)29/h1-13H,14H2