2-phenacylsulfanyl-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 2-phenacylsulfanyl-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 4-(4-isopropylphenyl)-2-phenacylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 2-(phenacylthio)-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-phenacylsulfanyl-4-(4-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 4-p-cumenyl-2-(phenacylthio)-1-pyrindan-3-carbonitrile Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H24N2OS/c1-17(2)18-11-13-20(14-12-18)25-21-9-6-10-23(21)28-26(22(25)15-27)30-16-24(29)19-7-4-3-5-8-19/h3-5,7-8,11-14,17H,6,9-10,16H2,1-2H3