2-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylcyclohexylidene]propanedinitrile

Systemtic Name: 2-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenyl-pyridin-2-yl]sulfanylcyclohexylidene]propanedinitrile Openeye Name: 2-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]sulfanyl]cyclohexylidene]propanedinitrile CAS Name: 2-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]thio]cyclohexylidene]propanedinitrile IUPAC Name: 2-[2-[3-cyano-6-(4-methoxyphenyl)-4-phenylpyridin-2-yl]sulfanylcyclohexylidene]propanedinitrile Traditional Name: 2-[2-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridyl]thio]cyclohexylidene]malononitrile Formula: C28H22N4OS MolecularWeight: 462.56548

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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)SC4CCCCC4=C(C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SC4CCCCC4=C(C#N)C#N

InChI

InChI=1S/C28H22N4OS/c1-33-22-13-11-20(12-14-22)26-15-24(19-7-3-2-4-8-19)25(18-31)28(32-26)34-27-10-6-5-9-23(27)21(16-29)17-30/h2-4,7-8,11-15,27H,5-6,9-10H2,1H3