N-[2-(dimethylamino)-2-phenyl-ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-propanamide

Systemtic Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-propanamide Openeye Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-propanamide CAS Name: N-[2-(dimethylamino)-2-phenylethyl]-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]propanamide IUPAC Name: N-[2-(dimethylamino)-2-phenylethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide Traditional Name: N-[2-(dimethylamino)-2-phenyl-ethyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]propionamide Formula: C22H28N6OS MolecularWeight: 424.56232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C(=O)NCC(C3=CC=CC=C3)N(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C(=O)NCC(C3=CC=CC=C3)N(C)C)C

InChI

InChI=1S/C22H28N6OS/c1-15-13-16(2)28(26-15)20-11-12-21(25-24-20)30-17(3)22(29)23-14-19(27(4)5)18-9-7-6-8-10-18/h6-13,17,19H,14H2,1-5H3,(H,23,29)