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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(4-phenoxyphenyl)butyramide Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C(C)C)C#N

InChI

InChI=1S/C26H25N5O2S/c1-4-22(34-26-21(15-28)23(16(2)3)20(14-27)24(29)31-26)25(32)30-17-10-12-19(13-11-17)33-18-8-6-5-7-9-18/h5-13,16,22H,4H2,1-3H3,(H2,29,31)(H,30,32)