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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C29H23N5O2S MolecularWeight: 505.59022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C29H23N5O2S/c1-18-8-10-20(11-9-18)26-24(16-30)27(32)34-29(25(26)17-31)37-19(2)28(35)33-21-12-14-23(15-13-21)36-22-6-4-3-5-7-22/h3-15,19H,1-2H3,(H2,32,34)(H,33,35)