2-[cyano(phenyl)methyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[cyano(phenyl)methyl]sulfanyl-7,7-dimethyl-5-oxidanylidene-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[cyano(phenyl)methyl]sulfanyl-4-isopropyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[cyano(phenyl)methyl]thio]-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[cyano(phenyl)methyl]sulfanyl-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[cyano(phenyl)methyl]thio]-4-isopropyl-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS/c1-14(2)20-16(12-24)22(28-19(13-25)15-8-6-5-7-9-15)26-17-10-23(3,4)11-18(27)21(17)20/h5-9,14,19-20,26H,10-11H2,1-4H3