5-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 5-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-(isopropylamino)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 5-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 5-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-(isopropylamino)-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C16H18F3N3O3S MolecularWeight: 389.39263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)NC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C16H18F3N3O3S/c1-10(2)21-14-13(8-20-22(15(14)23)9-16(17,18)19)11-4-6-12(7-5-11)26(3,24)25/h4-8,10,21H,9H2,1-3H3