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

Systemtic Name: phenyl 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate CAS Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanesulfonic acid phenyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3S2/c27-31(28,29-21-14-8-3-9-15-21)17-16-30-23-25-24-22(18-19-10-4-1-5-11-19)26(23)20-12-6-2-7-13-20/h1-15H,16-18H2