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

Systemtic Name: 2-butylsulfanyl-7,7-dimethyl-5-oxidanylidene-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-butylsulfanyl-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(butylthio)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-butylsulfanyl-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(butylthio)-5-keto-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N

Isomeric SMILES

CCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N

InChI

InChI=1S/C25H32N2O4S/c1-7-8-9-32-24-16(14-26)21(22-17(27-24)12-25(2,3)13-18(22)28)15-10-19(29-4)23(31-6)20(11-15)30-5/h10-11,21,27H,7-9,12-13H2,1-6H3