6-(4-bromophenyl)-2-(butylsulfanylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(butylsulfanylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(butylsulfanylmethylsulfanyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(butylthio)methylthio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(butylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[(butylthio)methylthio]-4-phenyl-nicotinonitrile Formula: C23H21BrN2S2 MolecularWeight: 469.46024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCCCSCSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H21BrN2S2/c1-2-3-13-27-16-28-23-21(15-25)20(17-7-5-4-6-8-17)14-22(26-23)18-9-11-19(24)12-10-18/h4-12,14H,2-3,13,16H2,1H3