6-nitro-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-nitro-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-nitro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-nitro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-nitro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-6-nitro-4-phenyl-carbostyril Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O4S/c1-2-6-14-11-18(27)25-22(23-14)31-20-19(13-7-4-3-5-8-13)16-12-15(26(29)30)9-10-17(16)24-21(20)28/h3-5,7-12H,2,6H2,1H3,(H,24,28)(H,23,25,27)