2-[3-phenyl-5-[3-(2-propylphenyl)sulfonylphenyl]-4-sulfanylidene-pyridin-1-yl]propanenitrile

Systemtic Name: 2-[3-phenyl-5-[3-(2-propylphenyl)sulfonylphenyl]-4-sulfanylidene-pyridin-1-yl]propanenitrile Openeye Name: 2-[3-phenyl-5-[3-(2-propylphenyl)sulfonylphenyl]-4-thioxo-1-pyridyl]propanenitrile CAS Name: 2-[3-phenyl-5-[3-(2-propylphenyl)sulfonylphenyl]-4-sulfanylidene-1-pyridinyl]propanenitrile IUPAC Name: 2-[3-phenyl-5-[3-(2-propylphenyl)sulfonylphenyl]-4-sulfanylidenepyridin-1-yl]propanenitrile Traditional Name: 2-[3-phenyl-5-[3-(2-propylphenyl)sulfonylphenyl]-4-thioxo-1-pyridyl]propionitrile Formula: C29H26N2O2S2 MolecularWeight: 498.65894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1S(=O)(=O)C2=CC=CC(=C2)C3=CN(C=C(C3=S)C4=CC=CC=C4)C(C)C#N

Isomeric SMILES

CCCC1=CC=CC=C1S(=O)(=O)C2=CC=CC(=C2)C3=CN(C=C(C3=S)C4=CC=CC=C4)C(C)C#N

InChI

InChI=1S/C29H26N2O2S2/c1-3-10-23-13-7-8-16-28(23)35(32,33)25-15-9-14-24(17-25)27-20-31(21(2)18-30)19-26(29(27)34)22-11-5-4-6-12-22/h4-9,11-17,19-21H,3,10H2,1-2H3