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

Systemtic Name: 2-azanyl-5-cyano-6-[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-5-cyano-6-[2-(diisopropylamino)-2-oxo-ethyl]sulfanyl-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-5-cyano-6-[[2-[di(propan-2-yl)amino]-2-oxoethyl]thio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-5-cyano-6-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-(diisopropylamino)-2-keto-ethyl]thio]-N-phenyl-nicotinamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-13(2)26(14(3)4)18(27)12-29-21-15(11-22)10-17(19(23)25-21)20(28)24-16-8-6-5-7-9-16/h5-10,13-14H,12H2,1-4H3,(H2,23,25)(H,24,28)