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

Systemtic Name: phenyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]ethanesulfonic acid phenyl ester Formula: C11H12N2O3S4 MolecularWeight: 348.48458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CSC1=NN=C(S1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H12N2O3S4/c1-17-10-12-13-11(19-10)18-7-8-20(14,15)16-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3