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

Systemtic Name: 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]thio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C28H23ClN2O2S MolecularWeight: 487.01242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H23ClN2O2S/c1-19-7-9-21(10-8-19)27-15-25(20-5-3-2-4-6-20)26(16-30)28(31-27)34-18-23(32)17-33-24-13-11-22(29)12-14-24/h2-15,23,32H,17-18H2,1H3