3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-(p-tolyl)quinazolin-4-one Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c1-15-9-11-17(12-10-15)24-21(26)19-7-2-3-8-20(19)23-22(24)29-14-16-5-4-6-18(13-16)25(27)28/h2-13H,14H2,1H3