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

Systemtic Name: phenyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S2/c1-20-16(14-8-4-2-5-9-14)18-19-17(20)24-12-13-25(21,22)23-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3