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

Systemtic Name: phenyl 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-isopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S2/c1-15(2)18-20-19(21-22(18)16-9-5-3-6-10-16)26-13-14-27(23,24)25-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3