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

Systemtic Name: 2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: N-mesityl-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4OS/c1-18-15-19(2)26(20(3)16-18)27-24(31)17-32-25-12-11-23(28-29-25)21-7-9-22(10-8-21)30-13-5-4-6-14-30/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H,27,31)