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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(2-ethoxyphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(2-ethoxyphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(2-ethoxyphenyl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-o-phenetyl-butyramide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)C(C)C)C#N

InChI

InChI=1S/C28H29N5O2S/c1-5-24(27(34)32-22-9-7-8-10-23(22)35-6-2)36-28-21(16-30)25(20(15-29)26(31)33-28)19-13-11-18(12-14-19)17(3)4/h7-14,17,24H,5-6H2,1-4H3,(H2,31,33)(H,32,34)