5-oxidanylidene-2-(phenylmethylsulfanyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 5-oxidanylidene-2-(phenylmethylsulfanyl)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-isopropylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 5-oxo-2-(phenylmethylthio)-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-5-keto-4-p-cumenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C26H26N2OS/c1-17(2)19-11-13-20(14-12-19)24-21(15-27)26(30-16-18-7-4-3-5-8-18)28-22-9-6-10-23(29)25(22)24/h3-5,7-8,11-14,17,24,28H,6,9-10,16H2,1-2H3