5-methyl-7-(2-methylpropyl)-2-(phenylmethyl)thieno[2,3-d]pyridazin-4-one

Systemtic Name: 5-methyl-7-(2-methylpropyl)-2-(phenylmethyl)thieno[2,3-d]pyridazin-4-one Openeye Name: 2-benzyl-7-isobutyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 5-methyl-7-(2-methylpropyl)-2-(phenylmethyl)-4-thieno[2,3-d]pyridazinone IUPAC Name: 2-benzyl-5-methyl-7-(2-methylpropyl)thieno[2,3-d]pyridazin-4-one Traditional Name: 2-benzyl-7-isobutyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C18H20N2OS MolecularWeight: 312.4292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)C2=C1SC(=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC(C)CC1=NN(C(=O)C2=C1SC(=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H20N2OS/c1-12(2)9-16-17-15(18(21)20(3)19-16)11-14(22-17)10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3