2-(2-oxidanyl-3-phenylmethoxy-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-(2-oxidanyl-3-phenylmethoxy-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-phenylmethoxypropyl)thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-phenylmethoxypropyl)sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[(3-benzoxy-2-hydroxy-propyl)thio]-4,6-diphenyl-nicotinonitrile Formula: C28H24N2O2S MolecularWeight: 452.56736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O2S/c29-17-26-25(22-12-6-2-7-13-22)16-27(23-14-8-3-9-15-23)30-28(26)33-20-24(31)19-32-18-21-10-4-1-5-11-21/h1-16,24,31H,18-20H2