(2S)-N-(3-chloranyl-4-cyano-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-cyano-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(2-pyrimidylthio)propionamide Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC=CC=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)SC2=NC=CC=N2

InChI

InChI=1S/C14H11ClN4OS/c1-9(21-14-17-5-2-6-18-14)13(20)19-11-4-3-10(8-16)12(15)7-11/h2-7,9H,1H3,(H,19,20)/t9-/m0/s1