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

Systemtic Name: (6S)-6-tert-butyl-2-[(4-nitrophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (6S)-6-tert-butyl-2-[(4-nitrophenyl)methylsulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: (6S)-6-tert-butyl-2-[(4-nitrophenyl)methylthio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (6S)-6-tert-butyl-2-[(4-nitrophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (6S)-6-tert-butyl-2-[(4-nitrobenzyl)thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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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=CS4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CS4

InChI

InChI=1S/C25H25N3O2S2/c1-25(2,3)17-8-11-21-19(13-17)23(22-5-4-12-31-22)20(14-26)24(27-21)32-15-16-6-9-18(10-7-16)28(29)30/h4-7,9-10,12,17H,8,11,13,15H2,1-3H3/t17-/m0/s1