(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) 4-methoxybenzenesulfonate

Systemtic Name: (1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) 4-methoxybenzenesulfonate Openeye Name: [1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) ester IUPAC Name: (1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl] ester Formula: C19H15N3O4S2 MolecularWeight: 413.4701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O4S2/c1-25-15-9-11-16(12-10-15)28(23,24)26-19-20-18(17-8-5-13-27-17)22(21-19)14-6-3-2-4-7-14/h2-13H,1H3