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

Systemtic Name: phenyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S2/c20-24(21,22-14-9-5-2-6-10-14)12-11-23-16-17-15(18-19-16)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,18,19)