2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C27H22FN3O3S MolecularWeight: 487.545283

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H22FN3O3S/c28-20-8-10-21(11-9-20)30-26(33)17-35-27-24(15-29)23(14-25(32)31-27)19-6-12-22(13-7-19)34-16-18-4-2-1-3-5-18/h1-13,23H,14,16-17H2,(H,30,33)(H,31,32)