Molecule ID: 93542

IUPAC Name: methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate

Description: The molecule is a methyl ester resulting from the formal condensation of the carboxy group of fluthiacet with methanol. A proherbicide for fluthiacet, it is used for the control of broad-leaved weeds in crops such as maize and soya. It has a role as an agrochemical, an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor and a proherbicide. It is an organic sulfide, a methyl ester, a member of monochlorobenzenes, a member of monofluorobenzenes and a thiadiazolopyridazine. It derives from a fluthiacet.

SMILES: COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl

SELFIES: [C][O][C][=Branch1][C][=O][C][S][C][=C][C][Branch2][Ring1][C][N][=C][S][C][=Branch1][C][=O][N][N][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][Cl]

InChI: InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 3.9