Molecule ID: 50909887

IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;hydron

Description: The molecule is the cation resulting from the protonation of the imidazole group of butaconazole. It is a conjugate acid of a butoconazole.

SMILES: Clc1ccc(CCC(Cn2cc[nH+]c2)Sc2c(Cl)cccc2Cl)cc1

SELFIES: [Cl][C][=C][C][=C][Branch2][Ring1][O][C][C][C][Branch1][=Branch2][C][N][C][=C][NH1+1][=C][Ring1][Branch1][S][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Branch2]

InChI: InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2/p+1

Molecular Properties:
- Polar Surface Area: 43.1 Ų
- LogP: nan