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

Systemtic Name: 2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]thio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanyl-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]thio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C28H23ClN2O3S MolecularWeight: 503.01182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C28H23ClN2O3S/c1-33-23-11-7-20(8-12-23)27-15-25(19-5-3-2-4-6-19)26(16-30)28(31-27)35-18-22(32)17-34-24-13-9-21(29)10-14-24/h2-15,22,32H,17-18H2,1H3