2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-phenyl-1-pyrindan-3-carbonitrile Formula: C26H26N2S MolecularWeight: 398.56304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CCC3)C(=C2C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CCC3)C(=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2S/c1-26(2,3)20-14-12-18(13-15-20)17-29-25-22(16-27)24(19-8-5-4-6-9-19)21-10-7-11-23(21)28-25/h4-6,8-9,12-15H,7,10-11,17H2,1-3H3