2-(5-cyanopyridin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 2-(5-cyanopyridin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[(5-cyano-2-pyridyl)sulfanyl]propanamide CAS Name: 2-[(5-cyano-2-pyridinyl)thio]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 2-(5-cyanopyridin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-2-[(5-cyano-2-pyridyl)thio]propionamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OCC2=CC=CC=C2)SC3=NC=C(C=C3)C#N

InChI

InChI=1S/C22H19N3O2S/c1-16(28-21-12-7-18(13-23)14-24-21)22(26)25-19-8-10-20(11-9-19)27-15-17-5-3-2-4-6-17/h2-12,14,16H,15H2,1H3,(H,25,26)