IUPAC Name :N-[(4-chlorophenyl)-phenylmethyl]-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
InChI :InChI=1/C23H23ClN4OS/c24-18-10-8-16(9-11-18)21(15-4-2-1-3-5-15)25-20(29)14-30-23-27-26-22(17-6-7-17)28(23)19-12-13-19/h1-5,8-11,17,19,21H,6-7,12-14H2,(H,25,29)
Std.InChI: InChI=1S/C23H23ClN4OS/c24-18-10-8-16(9-11-18)21(15-4-2-1-3-5-15)25-20(29)14-30-23-27-26-22(17-6-7-17)28(23)19-12-13-19/h1-5,8-11,17,19,21H,6-7,12-14H2,(H,25,29)
InChIKey :YTHSSKXSVCZWDJ-UHFFFAOYAU
Std.InChIKey: YTHSSKXSVCZWDJ-UHFFFAOYSA-N
SMILES :C1CC1C2=NN=C(N2C3CC3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=C(C=C5)Cl
Molar Refractivity :122.18 ± 0.5 cm3 (est)
Parachor :845.8 ± 8.0 cm3 (est)
Index of Refraction :1.730 ± 0.05
(est)
Surface Tension :58.3 ± 7.0 dyne/cm (est)
Density :1.43 ± 0.1 g/cm3 (est)
Polarizability :48.43 ± 0.5 10-24cm3 (est)