2-azanyl-5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[(3,3-dimethyl-2-oxobutyl)thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[(2-keto-3,3-dimethyl-butyl)thio]-N-phenyl-nicotinamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=C(C=C1C#N)C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C19H20N4O2S/c1-19(2,3)15(24)11-26-18-12(10-20)9-14(16(21)23-18)17(25)22-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H2,21,23)(H,22,25)