6-(4-bromophenyl)-2-[3-(4-tert-butylphenyl)sulfonyl-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-[3-(4-tert-butylphenyl)sulfonyl-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxy-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[3-(4-tert-butylphenyl)sulfonyl-2-hydroxypropyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[3-(4-tert-butylphenyl)sulfonyl-2-hydroxy-propyl]thio]-4-phenyl-nicotinonitrile Formula: C31H29BrN2O3S2 MolecularWeight: 621.60756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC(CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C31H29BrN2O3S2/c1-31(2,3)23-11-15-26(16-12-23)39(36,37)20-25(35)19-38-30-28(18-33)27(21-7-5-4-6-8-21)17-29(34-30)22-9-13-24(32)14-10-22/h4-17,25,35H,19-20H2,1-3H3