2-azanyl-5-cyano-6-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-(1-methylbutylamino)-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[2-oxo-2-(pentan-2-ylamino)ethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-keto-2-(1-methylbutylamino)ethyl]thio]-N-phenyl-nicotinamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-3-7-13(2)23-17(26)12-28-20-14(11-21)10-16(18(22)25-20)19(27)24-15-8-5-4-6-9-15/h4-6,8-10,13H,3,7,12H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)