2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[5-chloro-2-(4-fluorophenyl)sulfanyl-phenyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[5-chloro-2-[(4-fluorophenyl)thio]phenyl]acetamide Formula: C19H13ClFN5OS2 MolecularWeight: 445.920823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SC2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC(=CC=C1F)SC2=C(C=C(C=C2)Cl)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H13ClFN5OS2/c20-12-1-6-16(29-14-4-2-13(21)3-5-14)15(7-12)25-17(27)10-28-19-24-9-11(8-22)18(23)26-19/h1-7,9H,10H2,(H,25,27)(H2,23,24,26)