2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: 2-[[6-(2,5-dimethylphenyl)-3-pyridazinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[6-(2,5-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[6-(2,5-dimethylphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H21N3OS MolecularWeight: 363.47594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-15-8-9-16(2)18(12-15)19-10-11-21(24-23-19)26-14-20(25)22-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,22,25)