2-[3-[(4-chlorophenyl)methylsulfonyl]-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-2-oxidanyl-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxy-propyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorobenzyl)sulfonyl-2-hydroxy-propyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C28H23ClN2O3S2 MolecularWeight: 535.07682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CS(=O)(=O)CC3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(CS(=O)(=O)CC3=CC=C(C=C3)Cl)O)C4=CC=CC=C4

InChI

InChI=1S/C28H23ClN2O3S2/c29-23-13-11-20(12-14-23)18-36(33,34)19-24(32)17-35-28-26(16-30)25(21-7-3-1-4-8-21)15-27(31-28)22-9-5-2-6-10-22/h1-15,24,32H,17-19H2