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

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Openeye Name: 1-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS Name: 1-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methylthio]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile IUPAC Name: 1-(4-tert-butylphenyl)-3-[(4-tert-butylphenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Traditional Name: 3-[(4-tert-butylbenzyl)thio]-1-(4-tert-butylphenyl)-2-pyrindan-4-carbonitrile Formula: C30H34N2S MolecularWeight: 454.66936

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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=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2S/c1-29(2,3)22-14-10-20(11-15-22)19-33-28-26(18-31)24-8-7-9-25(24)27(32-28)21-12-16-23(17-13-21)30(4,5)6/h10-17H,7-9,19H2,1-6H3