6-(2-methylbutan-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 6-(2-methylbutan-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-(1,1-dimethylpropyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-(2-methylbutan-2-yl)-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-(2-methylbutan-2-yl)-2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-amyl-2-(phenacylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H26N2OS/c1-4-23(2,3)19-10-11-20-17(13-19)12-18(14-24)22(25-20)27-15-21(26)16-8-6-5-7-9-16/h5-9,12,19H,4,10-11,13,15H2,1-3H3