3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C28H21N5O2S MolecularWeight: 491.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C28H21N5O2S/c29-17-23-26(19-7-3-1-4-8-19)24(18-30)28(33-27(23)31)36-16-15-25(34)32-20-11-13-22(14-12-20)35-21-9-5-2-6-10-21/h1-14H,15-16H2,(H2,31,33)(H,32,34)