phenyl 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate CAS Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C11H13N3O3S3 MolecularWeight: 331.43422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CNC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H13N3O3S3/c1-12-10-13-14-11(19-10)18-7-8-20(15,16)17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)