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

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C25H19N7O2S MolecularWeight: 481.52906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCCC(=O)NC3=CC(=O)N(N3)C4=CC=CC=C4)N)C#N

InChI

InChI=1S/C25H19N7O2S/c26-14-18-23(16-7-3-1-4-8-16)19(15-27)25(30-24(18)28)35-12-11-21(33)29-20-13-22(34)32(31-20)17-9-5-2-6-10-17/h1-10,13,31H,11-12H2,(H2,28,30)(H,29,33)