3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-(3-cyano-6-phenylpyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[(3-cyano-6-phenyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H21N3O2S/c28-19-21-11-16-25(20-7-3-1-4-8-20)30-27(21)33-18-17-26(31)29-22-12-14-24(15-13-22)32-23-9-5-2-6-10-23/h1-16H,17-18H2,(H,29,31)