Molecule ID: 10403199

IUPAC Name: (5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one

Description: The molecule is a member of the class of imidazolones that is 3,5-dihydroimidazol-4-one substituted at position 2 by a methylthiogroup, at position 3 by an anilino group and at position 5 by phenyl and methyl groups (the S-enantiomer). A fungicide effective against Oomycete diseases such as downy mildew and certain leaf spot diseases. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor, an antifungal agrochemical and a quinone outside inhibitor. It is an imidazolone, a carbohydrazide, an organic sulfide and an imidazole fungicide.

SMILES: CSC1=N[C@@](C)(c2ccccc2)C(=O)N1Nc1ccccc1

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

InChI: InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 70.0 Ų
- LogP: 4.1