7,7-dimethyl-5-oxidanylidene-2-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-2-(3-oxidanylidene-3-phenyl-propyl)sulfanyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 7,7-dimethyl-5-oxo-2-(3-oxo-3-phenyl-propyl)sulfanyl-6,8-dihydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-5-oxo-2-[(3-oxo-3-phenylpropyl)thio]-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 7,7-dimethyl-5-oxo-2-(3-oxo-3-phenylpropyl)sulfanyl-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 5-keto-2-[(3-keto-3-phenyl-propyl)thio]-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCCC(=O)C3=CC=CC=C3)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCCC(=O)C3=CC=CC=C3)C#N)C(=O)C1)C

InChI

InChI=1S/C21H20N2O2S/c1-21(2)11-17-16(19(25)12-21)10-15(13-22)20(23-17)26-9-8-18(24)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3