4-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzenesulfonamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=C(C=C3)S(=O)(=O)N)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=C(C=C3)S(=O)(=O)N)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5O3S2/c1-16-5-2-3-7-20(16)27-21(17-6-4-12-24-15-17)25-26-22(27)31-14-13-30-18-8-10-19(11-9-18)32(23,28)29/h2-12,15H,13-14H2,1H3,(H2,23,28,29)