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

Systemtic Name: 1-(4-tert-butylphenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Openeye Name: 3-benzylsulfanyl-1-(4-tert-butylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile CAS Name: 1-(4-tert-butylphenyl)-3-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-1-(4-tert-butylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile Traditional Name: 3-(benzylthio)-1-(4-tert-butylphenyl)-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)C2=C3CCCC3=C(C(=N2)SCC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C3CCCC3=C(C(=N2)SCC4=CC=CC=C4)C#N

InChI

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