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

Systemtic Name: N-(3-acetamidophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C25H27N5O2S/c1-18(31)26-20-6-5-7-21(16-20)27-24(32)17-33-25-13-12-23(28-29-25)19-8-10-22(11-9-19)30-14-3-2-4-15-30/h5-13,16H,2-4,14-15,17H2,1H3,(H,26,31)(H,27,32)