2-[(4-azanyl-6-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-6-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-6-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[(4-amino-2-keto-6-nitro-1H-quinolin-3-yl)thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C29H19N5O5S MolecularWeight: 549.55666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SC5=C(C6=C(C=CC(=C6)[N+](=O)[O-])NC5=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SC5=C(C6=C(C=CC(=C6)[N+](=O)[O-])NC5=O)N

InChI

InChI=1S/C29H19N5O5S/c30-25-22-16-18(34(37)38)12-15-24(22)31-27(35)26(25)40-29-32-23-9-5-4-8-21(23)28(36)33(29)17-10-13-20(14-11-17)39-19-6-2-1-3-7-19/h1-16H,(H3,30,31,35)