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

Systemtic Name: 4-ethyl-7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 4-ethyl-7,7-dimethyl-5-oxo-2-(phenylmethylthio)-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-ethyl-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H22N2OS/c1-4-15-16(12-22)20(25-13-14-8-6-5-7-9-14)23-17-10-21(2,3)11-18(24)19(15)17/h5-9H,4,10-11,13H2,1-3H3