IUPAC Name :2-({[3-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}methyl)pyridine
InChI :InChI=1/C16H16N4O2S/c1-21-13-8-5-7-12(14(13)22-2)15-18-16(20-19-15)23-10-11-6-3-4-9-17-11/h3-9H,10H2,1-2H3,(H,18,19,20)
Std.InChI: InChI=1S/C16H16N4O2S/c1-21-13-8-5-7-12(14(13)22-2)15-18-16(20-19-15)23-10-11-6-3-4-9-17-11/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKey :KQBVKVLMRJSQOL-UHFFFAOYAA
Std.InChIKey: KQBVKVLMRJSQOL-UHFFFAOYSA-N
SMILES :COc1cccc(c1OC)c2nc([nH]n2)SCc3ccccn3
Molar Refractivity :88.86 ± 0.4 cm3 (est)
Parachor :707.2 ± 6.0 cm3 (est)
Index of Refraction :1.653 ± 0.03
(est)
Surface Tension :72.3 ± 5.0 dyne/cm (est)
Density :1.35 ± 0.1 g/cm3 (est)
Polarizability :35.22 ± 0.5 10-24cm3 (est)