N-(4-bromophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Openeye Name: N-(4-bromophenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-3-carboxamide CAS Name: N-(4-bromophenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Traditional Name: N-(4-bromophenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]nipecotamide Formula: C23H23BrN4OS MolecularWeight: 483.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H23BrN4OS/c1-16-4-10-20(11-5-16)30-22-13-12-21(26-27-22)28-14-2-3-17(15-28)23(29)25-19-8-6-18(24)7-9-19/h4-13,17H,2-3,14-15H2,1H3,(H,25,29)