2-[(4-tert-butylphenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-(4-ethoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-(4-ethoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-phenyl-6-p-phenetyl-nicotinonitrile Formula: C31H30N2OS MolecularWeight: 478.6477

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H30N2OS/c1-5-34-26-17-13-24(14-18-26)29-19-27(23-9-7-6-8-10-23)28(20-32)30(33-29)35-21-22-11-15-25(16-12-22)31(2,3)4/h6-19H,5,21H2,1-4H3