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

Systemtic Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-4-(4-methoxyphenyl)-2-[(4-nitrobenzyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29N3O3S/c1-28(2,3)20-9-14-25-23(15-20)26(19-7-12-22(34-4)13-8-19)24(16-29)27(30-25)35-17-18-5-10-21(11-6-18)31(32)33/h5-8,10-13,20H,9,14-15,17H2,1-4H3