6-(4-bromophenyl)-2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-bromophenyl)-2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(4-bromophenyl)-2-(2-hydroxy-3-phenoxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(2-hydroxy-3-phenoxypropyl)thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(2-hydroxy-3-phenoxypropyl)sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(4-bromophenyl)-2-[(2-hydroxy-3-phenoxy-propyl)thio]-4-phenyl-nicotinonitrile Formula: C27H21BrN2O2S MolecularWeight: 517.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21BrN2O2S/c28-21-13-11-20(12-14-21)26-15-24(19-7-3-1-4-8-19)25(16-29)27(30-26)33-18-22(31)17-32-23-9-5-2-6-10-23/h1-15,22,31H,17-18H2