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

Systemtic Name: 2-[cyano(phenyl)methyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[cyano(phenyl)methyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[cyano(phenyl)methyl]thio]-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[cyano(phenyl)methyl]sulfanyl-4-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[cyano(phenyl)methyl]thio]-4-ethyl-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C22H23N3OS MolecularWeight: 377.50252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC(C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SC(C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H23N3OS/c1-4-15-16(12-23)21(27-19(13-24)14-8-6-5-7-9-14)25-17-10-22(2,3)11-18(26)20(15)17/h5-9,15,19,25H,4,10-11H2,1-3H3