Molecule ID: 5236877

IUPAC Name: 5,11-dimethyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone

Description: The molecule is an organonitrogen heterocyclic compound that is 1H,5H-[1,4]dithiino[2,3-c:5,6-c']dipyrrole-1,3,5,7(2H,6H)-tetrone substituted at positions 2 and 6 by methyl groups. It has a role as an antifungal agrochemical. It is an organic heterotricyclic compound, a dicarboximide fungicide, an organosulfur pesticide, an organosulfur heterocyclic compound and an organonitrogen heterocyclic compound. It derives from a maleimide.

SMILES: Cn1c(=O)c2sc3c(=O)n(C)c(=O)c3sc2c1=O

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

InChI: InChI=1S/C10H6N2O4S2/c1-11-7(13)3-4(8(11)14)18-6-5(17-3)9(15)12(2)10(6)16/h1-2H3

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: 0.1