N-[4-(6-chloranylpyridazin-3-yl)sulfanyl-3-cyano-phenyl]pyrrolidine-1-carboxamide

Systemtic Name: N-[4-(6-chloranylpyridazin-3-yl)sulfanyl-3-cyano-phenyl]pyrrolidine-1-carboxamide Openeye Name: N-[4-(6-chloropyridazin-3-yl)sulfanyl-3-cyano-phenyl]pyrrolidine-1-carboxamide CAS Name: N-[4-[(6-chloro-3-pyridazinyl)thio]-3-cyanophenyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[4-(6-chloropyridazin-3-yl)sulfanyl-3-cyanophenyl]pyrrolidine-1-carboxamide Traditional Name: N-[4-[(6-chloropyridazin-3-yl)thio]-3-cyano-phenyl]pyrrolidine-1-carboxamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC(=C(C=C2)SC3=NN=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC(=C(C=C2)SC3=NN=C(C=C3)Cl)C#N

InChI

InChI=1S/C16H14ClN5OS/c17-14-5-6-15(21-20-14)24-13-4-3-12(9-11(13)10-18)19-16(23)22-7-1-2-8-22/h3-6,9H,1-2,7-8H2,(H,19,23)