phenyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanesulfonate

Systemtic Name: phenyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanesulfonate Openeye Name: phenyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanesulfonate CAS Name: 2-(1H-1,2,4-triazol-5-ylthio)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanesulfonate Traditional Name: 2-(1H-1,2,4-triazol-5-ylthio)ethanesulfonic acid phenyl ester Formula: C10H11N3O3S2 MolecularWeight: 285.34264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCSC2=NC=NN2

InChI

InChI=1S/C10H11N3O3S2/c14-18(15,16-9-4-2-1-3-5-9)7-6-17-10-11-8-12-13-10/h1-5,8H,6-7H2,(H,11,12,13)