2-ethyl-5-(2-ethylbutanoyl)-4-[(3-fluorophenyl)amino]-6-(4-methylsulfanylphenyl)pyridazin-3-one

Systemtic Name: 2-ethyl-5-(2-ethylbutanoyl)-4-[(3-fluorophenyl)amino]-6-(4-methylsulfanylphenyl)pyridazin-3-one Openeye Name: 2-ethyl-5-(2-ethylbutanoyl)-4-(3-fluoroanilino)-6-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 2-ethyl-5-(2-ethyl-1-oxobutyl)-4-(3-fluoroanilino)-6-[4-(methylthio)phenyl]-3-pyridazinone IUPAC Name: 2-ethyl-5-(2-ethylbutanoyl)-4-(3-fluoroanilino)-6-(4-methylsulfanylphenyl)pyridazin-3-one Traditional Name: 2-ethyl-5-(2-ethylbutanoyl)-4-(3-fluoroanilino)-6-[4-(methylthio)phenyl]pyridazin-3-one Formula: C25H28FN3O2S MolecularWeight: 453.572123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC)NC3=CC(=CC=C3)F

Isomeric SMILES

CCC(CC)C(=O)C1=C(C(=O)N(N=C1C2=CC=C(C=C2)SC)CC)NC3=CC(=CC=C3)F

InChI

InChI=1S/C25H28FN3O2S/c1-5-16(6-2)24(30)21-22(17-11-13-20(32-4)14-12-17)28-29(7-3)25(31)23(21)27-19-10-8-9-18(26)15-19/h8-16,27H,5-7H2,1-4H3