4-(4-methylphenyl)-2-(3-phenylprop-2-enylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-2-(3-phenylprop-2-enylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-cinnamylsulfanyl-4-(p-tolyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-methylphenyl)-2-(3-phenylprop-2-enylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-methylphenyl)-2-(3-phenylprop-2-enylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(cinnamylthio)-4-(p-tolyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H24N2S MolecularWeight: 396.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC=CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC=CC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H24N2S/c1-19-13-15-21(16-14-19)25-22-11-5-6-12-24(22)28-26(23(25)18-27)29-17-7-10-20-8-3-2-4-9-20/h2-4,7-10,13-16H,5-6,11-12,17H2,1H3