7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-5-oxo-2-(phenylmethylthio)-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C19H18N2OS MolecularWeight: 322.42402

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCC3=CC=CC=C3)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCC3=CC=CC=C3)C#N)C(=O)C1)C

InChI

InChI=1S/C19H18N2OS/c1-19(2)9-16-15(17(22)10-19)8-14(11-20)18(21-16)23-12-13-6-4-3-5-7-13/h3-8H,9-10,12H2,1-2H3