2-tert-butyl-4-methylsulfinyl-5-(pyridin-4-ylmethylamino)pyridazin-3-one

Systemtic Name: 2-tert-butyl-4-methylsulfinyl-5-(pyridin-4-ylmethylamino)pyridazin-3-one Openeye Name: 2-tert-butyl-4-methylsulfinyl-5-(4-pyridylmethylamino)pyridazin-3-one CAS Name: 2-tert-butyl-4-methylsulfinyl-5-(pyridin-4-ylmethylamino)-3-pyridazinone IUPAC Name: 2-tert-butyl-4-methylsulfinyl-5-(pyridin-4-ylmethylamino)pyridazin-3-one Traditional Name: 2-tert-butyl-4-methylsulfinyl-5-(4-pyridylmethylamino)pyridazin-3-one Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C(=C(C=N1)NCC2=CC=NC=C2)S(=O)C

Isomeric SMILES

CC(C)(C)N1C(=O)C(=C(C=N1)NCC2=CC=NC=C2)S(=O)C

InChI

InChI=1S/C15H20N4O2S/c1-15(2,3)19-14(20)13(22(4)21)12(10-18-19)17-9-11-5-7-16-8-6-11/h5-8,10,17H,9H2,1-4H3