Molecule ID: 6451142

IUPAC Name: 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione

Description: The molecule is a member of the class of triazoles that is 1,2,4-triazole-3-thione substituted at position 2 by a 2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl group. It is a member of monochlorobenzenes, a member of triazoles, a tertiary alcohol, a member of cyclopropanes and a thiocarbonyl compound.

SMILES: OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1

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

InChI: InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)

Molecular Properties:
- Polar Surface Area: 80.0 Ų
- LogP: 2.7