2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C31H27N5O2S MolecularWeight: 533.64338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27N5O2S/c1-19(2)21-9-11-22(12-10-21)28-26(17-32)29(34)36-31(27(28)18-33)39-20(3)30(37)35-23-13-15-25(16-14-23)38-24-7-5-4-6-8-24/h4-16,19-20H,1-3H3,(H2,34,36)(H,35,37)