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

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-isopropylphenyl)-2-pyridyl]sulfanyl]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]thio]-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(3-oxo-2-phenyl-1H-pyrazol-5-yl)propanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-p-cumenyl-2-pyridyl)thio]-N-(5-keto-1-phenyl-3-pyrazolin-3-yl)propionamide Formula: C28H25N7O2S MolecularWeight: 523.6088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N7O2S/c1-16(2)18-9-11-19(12-10-18)25-21(14-29)26(31)33-28(22(25)15-30)38-17(3)27(37)32-23-13-24(36)35(34-23)20-7-5-4-6-8-20/h4-13,16-17,34H,1-3H3,(H2,31,33)(H,32,37)