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

Systemtic Name: 4-(furan-2-yl)-7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(2-furanyl)-7,7-dimethyl-5-oxo-2-(phenylmethylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(2-furyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1)C

InChI

InChI=1S/C23H22N2O2S/c1-23(2)11-17-21(18(26)12-23)20(19-9-6-10-27-19)16(13-24)22(25-17)28-14-15-7-4-3-5-8-15/h3-10,20,25H,11-12,14H2,1-2H3