N-[4-[5,6-bis(chloranyl)-2-cyano-pyrimidin-4-yl]sulfanyl-2-chloranyl-phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[4-[5,6-bis(chloranyl)-2-cyano-pyrimidin-4-yl]sulfanyl-2-chloranyl-phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[2-chloro-4-(5,6-dichloro-2-cyano-pyrimidin-4-yl)sulfanyl-phenyl]pyrrolidine-1-carboxamide CAS Name: N-[2-chloro-4-[(5,6-dichloro-2-cyano-4-pyrimidinyl)thio]phenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[2-chloro-4-(5,6-dichloro-2-cyanopyrimidin-4-yl)sulfanylphenyl]pyrrolidine-1-carboxamide Traditional Name: N-[2-chloro-4-[(5,6-dichloro-2-cyano-pyrimidin-4-yl)thio]phenyl]pyrrolidine-1-carboxamide Formula: C16H12Cl3N5OS MolecularWeight: 428.72338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=C(C=C(C=C2)SC3=C(C(=NC(=N3)C#N)Cl)Cl)Cl

Isomeric SMILES

C1CCN(C1)C(=O)NC2=C(C=C(C=C2)SC3=C(C(=NC(=N3)C#N)Cl)Cl)Cl

InChI

InChI=1S/C16H12Cl3N5OS/c17-10-7-9(26-15-13(18)14(19)22-12(8-20)23-15)3-4-11(10)21-16(25)24-5-1-2-6-24/h3-4,7H,1-2,5-6H2,(H,21,25)