3-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-3-(p-tolyl)quinazolin-4-one Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4S/c1-15-6-10-17(11-7-15)25-22(28)19-4-2-3-5-20(19)24-23(25)31-14-21(27)16-8-12-18(13-9-16)26(29)30/h2-13H,14H2,1H3