phenyl 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C17H16ClN3O3S2 MolecularWeight: 409.91024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H16ClN3O3S2/c1-21-16(14-9-5-6-10-15(14)18)19-20-17(21)25-11-12-26(22,23)24-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3