2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[(4-tert-butylphenyl)methylthio]-4,6-bis(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4,6-bis(4-methoxyphenyl)nicotinonitrile Formula: C31H30N2O2S MolecularWeight: 494.6471

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C31H30N2O2S/c1-31(2,3)24-12-6-21(7-13-24)20-36-30-28(19-32)27(22-8-14-25(34-4)15-9-22)18-29(33-30)23-10-16-26(35-5)17-11-23/h6-18H,20H2,1-5H3