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

Systemtic Name: 2-[[5-cyano-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide IUPAC Name: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c22-11-18-17(10-20(26)24-21(18)28-13-19(23)25)15-6-8-16(9-7-15)27-12-14-4-2-1-3-5-14/h1-9,17H,10,12-13H2,(H2,23,25)(H,24,26)