7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-isopropyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-5-oxo-2-(phenylmethylthio)-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-7,7-dimethyl-5-oxo-4-propan-2-yl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-isopropyl-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2OS/c1-14(2)19-16(12-23)21(26-13-15-8-6-5-7-9-15)24-17-10-22(3,4)11-18(25)20(17)19/h5-9,14,19,24H,10-11,13H2,1-4H3