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

Systemtic Name: 2-methylsulfonyl-5-(naphthalen-1-ylmethyl)-3-(phenylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-benzyl-2-methylsulfonyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 2-methylsulfonyl-5-(1-naphthalenylmethyl)-3-(phenylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-benzyl-2-methylsulfonyl-5-(naphthalen-1-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-benzyl-2-mesyl-5-(1-naphthylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(N=C2)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CS(=O)(=O)C1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(N=C2)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H20N4O3S/c1-32(30,31)24-26-21-14-25-28(16-19-12-7-11-18-10-5-6-13-20(18)19)23(29)22(21)27(24)15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3