2-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-tert-butylphenoxy)-2-hydroxy-propyl]thio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C29H28N2O2S2 MolecularWeight: 500.67482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N)O

InChI

InChI=1S/C29H28N2O2S2/c1-29(2,3)21-11-13-23(14-12-21)33-18-22(32)19-35-28-25(17-30)24(20-8-5-4-6-9-20)16-26(31-28)27-10-7-15-34-27/h4-16,22,32H,18-19H2,1-3H3