N-(2-chloranyl-4-methyl-phenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-[6-(p-tolylsulfanyl)pyridazin-3-yl]piperidine-3-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-[6-[(4-methylphenyl)thio]-3-pyridazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-3-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-[6-(p-tolylthio)pyridazin-3-yl]nipecotamide Formula: C24H25ClN4OS MolecularWeight: 452.9995

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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=C(C=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4OS/c1-16-5-8-19(9-6-16)31-23-12-11-22(27-28-23)29-13-3-4-18(15-29)24(30)26-21-10-7-17(2)14-20(21)25/h5-12,14,18H,3-4,13,15H2,1-2H3,(H,26,30)