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

Systemtic Name: 6-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxy-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]-2-hydroxypropyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[3-(4-chlorobenzyl)sulfonyl-2-hydroxy-propyl]thio]-4-phenyl-nicotinonitrile Formula: C28H22BrClN2O3S2 MolecularWeight: 613.97288

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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=C(C=C4)Br

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=C(C=C4)Br

InChI

InChI=1S/C28H22BrClN2O3S2/c29-22-10-8-21(9-11-22)27-14-25(20-4-2-1-3-5-20)26(15-31)28(32-27)36-16-24(33)18-37(34,35)17-19-6-12-23(30)13-7-19/h1-14,24,33H,16-18H2