3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C27H20ClN3O2S MolecularWeight: 485.9846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCSC3=C(C=CC(=N3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C27H20ClN3O2S/c28-21-9-6-19(7-10-21)25-15-8-20(18-29)27(31-25)34-17-16-26(32)30-22-11-13-24(14-12-22)33-23-4-2-1-3-5-23/h1-15H,16-17H2,(H,30,32)