6-(4-bromophenyl)-2-[(4-tert-butylphenyl)sulfanylmethylsulfanyl]-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-[(4-tert-butylphenyl)sulfanylmethylsulfanyl]-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[(4-tert-butylphenyl)sulfanylmethylsulfanyl]-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[(4-tert-butylphenyl)thio]methylthio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[(4-tert-butylphenyl)sulfanylmethylsulfanyl]-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[(4-tert-butylphenyl)thio]methylthio]-4-phenyl-nicotinonitrile Formula: C29H25BrN2S2 MolecularWeight: 545.5562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H25BrN2S2/c1-29(2,3)22-11-15-24(16-12-22)33-19-34-28-26(18-31)25(20-7-5-4-6-8-20)17-27(32-28)21-9-13-23(30)14-10-21/h4-17H,19H2,1-3H3