1H-Imidazole-1-acetonitrile,a-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-,(aE)- (187164-19-8)

The Luliconazole with the cas number 187164-19-8 is also called 1H-Imidazole-1-acetonitrile,a-[4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-,[R-(E)]-. The IUPAC name is (2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile. Its molecular formula is C₁₄H₉Cl₂N₃S₂.

The properties of the chemical are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 614.89; (6)ACD/BCF (pH 7.4): 625.88; (7)ACD/KOC (pH 5.5): 3432.47; (8)ACD/KOC (pH 7.4): 3493.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 92.21 Å²; (13)Index of Refraction: 1.734; (14)Molar Refractivity: 93.16 cm³; (15)Molar Volume: 232.3 cm³; (16)Polarizability: 36.93×10^-24cm³; (17)Surface Tension: 60.5 dyne/cm; (18)Enthalpy of Vaporization: 76.74 kJ/mol; (19)Vapour Pressure: 4.27×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C(=C2/S[C@H](c1c(Cl)cc(Cl)cc1)CS2)n3ccnc3
(2)InChI: InChI=1/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1
(3)InChIKey: YTAOBBFIOAEMLL-REQDGWNSBF