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

Systemtic Name: 6-(4-bromophenyl)-2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]thio]-4-phenyl-nicotinonitrile Formula: C27H20BrClN2O2S MolecularWeight: 551.8819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(COC3=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(COC3=CC=C(C=C3)Cl)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H20BrClN2O2S/c28-20-8-6-19(7-9-20)26-14-24(18-4-2-1-3-5-18)25(15-30)27(31-26)34-17-22(32)16-33-23-12-10-21(29)11-13-23/h1-14,22,32H,16-17H2