phenyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C11H13N3O3S2 MolecularWeight: 299.36922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=NN1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H13N3O3S2/c1-9-12-11(14-13-9)18-7-8-19(15,16)17-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,13,14)