3-but-2-ynyl-2-methylsulfonyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 3-but-2-ynyl-2-methylsulfonyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-2-methylsulfonyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-2-methylsulfonyl-5-(1-naphthalenylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-2-methylsulfonyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-2-mesyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)N=C1S(=O)(=O)C

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)N=C1S(=O)(=O)C

InChI

InChI=1S/C21H18N4O3S/c1-3-4-12-24-19-18(23-21(24)29(2,27)28)13-22-25(20(19)26)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,13H,12,14H2,1-2H3