2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-[(4-tert-butylphenyl)methylthio]ethylthio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-[(4-tert-butylbenzyl)thio]ethylthio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C29H28N2S3 MolecularWeight: 500.74102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSCCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSCCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H28N2S3/c1-29(2,3)23-13-11-21(12-14-23)20-32-16-17-34-28-25(19-30)24(22-8-5-4-6-9-22)18-26(31-28)27-10-7-15-33-27/h4-15,18H,16-17,20H2,1-3H3