2-azanyl-5-cyano-6-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-N-phenyl-4-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-N-phenyl-4-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-N-phenyl-4-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-N-phenyl-4-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-phenyl-4-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-(isopropylamino)-2-keto-ethyl]thio]-N-phenyl-4-(4-pyridyl)nicotinamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC=NC=C2)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)NC(=O)CSC1=NC(=C(C(=C1C#N)C2=CC=NC=C2)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C23H22N6O2S/c1-14(2)27-18(30)13-32-23-17(12-24)19(15-8-10-26-11-9-15)20(21(25)29-23)22(31)28-16-6-4-3-5-7-16/h3-11,14H,13H2,1-2H3,(H2,25,29)(H,27,30)(H,28,31)