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

Systemtic Name: 4,7,7-trimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4,7,7-trimethyl-5-oxo-2-(phenylmethylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-5-keto-4,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1C(=C(NC2=C1C(=O)CC(C2)(C)C)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H22N2OS/c1-13-15(11-21)19(24-12-14-7-5-4-6-8-14)22-16-9-20(2,3)10-17(23)18(13)16/h4-8,13,22H,9-10,12H2,1-3H3