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

Systemtic Name: 6-(4-bromophenyl)-2-(2-oxidanyl-3-phenylmethoxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)sulfanyl-6-(4-bromophenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-bromophenyl)-2-[(2-hydroxy-3-phenylmethoxypropyl)thio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-bromophenyl)-2-(2-hydroxy-3-phenylmethoxypropyl)sulfanyl-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-benzoxy-2-hydroxy-propyl)thio]-6-(4-bromophenyl)-4-phenyl-nicotinonitrile Formula: C28H23BrN2O2S MolecularWeight: 531.46342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23BrN2O2S/c29-23-13-11-22(12-14-23)27-15-25(21-9-5-2-6-10-21)26(16-30)28(31-27)34-19-24(32)18-33-17-20-7-3-1-4-8-20/h1-15,24,32H,17-19H2