2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[2-[(4-tert-butylphenyl)methylthio]ethylthio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[(4-tert-butylphenyl)methylsulfanyl]ethylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[2-[(4-tert-butylbenzyl)thio]ethylthio]-4,6-diphenyl-nicotinonitrile Formula: C31H30N2S2 MolecularWeight: 494.7133

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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=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2S2/c1-31(2,3)26-16-14-23(15-17-26)22-34-18-19-35-30-28(21-32)27(24-10-6-4-7-11-24)20-29(33-30)25-12-8-5-9-13-25/h4-17,20H,18-19,22H2,1-3H3