7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-4-(3-nitrophenyl)-5-oxidanylidene-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-(phenacylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 7,7-dimethyl-4-(3-nitrophenyl)-5-oxo-2-phenacylsulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 5-keto-7,7-dimethyl-4-(3-nitrophenyl)-2-(phenacylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C26H23N3O4S/c1-26(2)12-20-24(21(30)13-26)23(17-9-6-10-18(11-17)29(32)33)19(14-27)25(28-20)34-15-22(31)16-7-4-3-5-8-16/h3-11,23,28H,12-13,15H2,1-2H3