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

Systemtic Name: phenyl 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C19H21N3O4S3 MolecularWeight: 451.58274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H21N3O4S3/c23-29(24,26-15-6-2-1-3-7-15)13-12-28-19-21-20-18(17-9-5-11-27-17)22(19)14-16-8-4-10-25-16/h1-3,5-7,9,11,16H,4,8,10,12-14H2