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

Systemtic Name: 6-chloranyl-3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-4-phenyl-carbostyril Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O2S/c1-2-6-15-12-18(27)26-22(24-15)29-20-19(13-7-4-3-5-8-13)16-11-14(23)9-10-17(16)25-21(20)28/h3-5,7-12H,2,6H2,1H3,(H,25,28)(H,24,26,27)