2-azanyl-5-cyano-6-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-5-cyano-6-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[1-(cyclohexylamino)-1-oxopropan-2-yl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-(cyclohexylamino)-2-keto-1-methyl-ethyl]thio]-N-phenyl-nicotinamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)N

InChI

InChI=1S/C22H25N5O2S/c1-14(20(28)25-16-8-4-2-5-9-16)30-22-15(13-23)12-18(19(24)27-22)21(29)26-17-10-6-3-7-11-17/h3,6-7,10-12,14,16H,2,4-5,8-9H2,1H3,(H2,24,27)(H,25,28)(H,26,29)