2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)butanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)butyramide Formula: C23H23N7O2S MolecularWeight: 461.53942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC(=O)N(N1)C2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C(C)C)C#N

InChI

InChI=1S/C23H23N7O2S/c1-4-17(33-23-16(12-25)20(13(2)3)15(11-24)21(26)28-23)22(32)27-18-10-19(31)30(29-18)14-8-6-5-7-9-14/h5-10,13,17,29H,4H2,1-3H3,(H2,26,28)(H,27,32)