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

Systemtic Name: phenyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C10H11N3O3S3 MolecularWeight: 317.40764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(S2)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NN=C(S2)N

InChI

InChI=1S/C10H11N3O3S3/c11-9-12-13-10(18-9)17-6-7-19(14,15)16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)