3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS Name: 3-[(4-tert-butylphenyl)methylthio]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Traditional Name: 3-[(4-tert-butylbenzyl)thio]-1-phenyl-2-pyrindan-4-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=NC(=C3CCCC3=C2C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=C3CCCC3=C2C#N)C4=CC=CC=C4

InChI

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