6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-4-phenyl-nicotinonitrile Formula: C24H21BrN2OS MolecularWeight: 465.40534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H21BrN2OS/c1-24(2,3)22(28)15-29-23-20(14-26)19(16-7-5-4-6-8-16)13-21(27-23)17-9-11-18(25)12-10-17/h4-13H,15H2,1-3H3