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

Systemtic Name: phenyl 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester Formula: C16H16N4O3S2 MolecularWeight: 376.45324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCCS(=O)(=O)OC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C16H16N4O3S2/c1-20-15(13-7-9-17-10-8-13)18-19-16(20)24-11-12-25(21,22)23-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3