1-(6-chloranylpyridazin-3-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[2-(3-thienylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[2-(3-thiophenylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[2-(3-thenylthio)phenyl]isonipecotamide Formula: C21H21ClN4OS2 MolecularWeight: 445.00064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC3=CSC=C3)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC3=CSC=C3)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS2/c22-19-5-6-20(25-24-19)26-10-7-16(8-11-26)21(27)23-17-3-1-2-4-18(17)29-14-15-9-12-28-13-15/h1-6,9,12-13,16H,7-8,10-11,14H2,(H,23,27)