phenyl 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCCS(=O)(=O)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCCS(=O)(=O)OC3=CC=CC=C3)C

InChI

InChI=1S/C15H16N4O3S2/c1-11-10-12(2)19-14(16-11)17-18-15(19)23-8-9-24(20,21)22-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3