N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-3-cyano-6-cyclopropyl-2-(methylthio)isonicotinamide Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl)C#N

InChI

InChI=1S/C21H20ClN5O2S/c1-30-21-15(10-23)14(9-17(26-21)12-2-3-12)20(29)25-13-4-5-18(16(22)8-13)27-7-6-24-19(28)11-27/h4-5,8-9,12H,2-3,6-7,11H2,1H3,(H,24,28)(H,25,29)