6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-(m-anisylthio)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C29H32N2O2S MolecularWeight: 472.64158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC(=CC=C3)OC)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC(=CC=C3)OC)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H32N2O2S/c1-29(2,3)21-11-14-26-24(16-21)27(20-9-12-22(32-4)13-10-20)25(17-30)28(31-26)34-18-19-7-6-8-23(15-19)33-5/h6-10,12-13,15,21H,11,14,16,18H2,1-5H3