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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C25H28N4OS/c1-2-19-6-10-21(11-7-19)26-24(30)18-31-25-15-14-23(27-28-25)20-8-12-22(13-9-20)29-16-4-3-5-17-29/h6-15H,2-5,16-18H2,1H3,(H,26,30)