N-[(4-methylphenyl)methyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: 2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C25H28N4OS/c1-19-5-7-20(8-6-19)17-26-24(30)18-31-25-14-13-23(27-28-25)21-9-11-22(12-10-21)29-15-3-2-4-16-29/h5-14H,2-4,15-18H2,1H3,(H,26,30)