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

Systemtic Name: phenyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(1-phenyl-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)N2C=NC(=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

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