[2-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl] ethanoate

Systemtic Name: [2-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl] ethanoate Openeye Name: (5-benzylsulfanyl-2-phenyl-1,2,4-triazol-3-yl) acetate CAS Name: acetic acid [2-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl] ester IUPAC Name: (5-benzylsulfanyl-2-phenyl-1,2,4-triazol-3-yl) acetate Traditional Name: acetic acid [5-(benzylthio)-2-phenyl-1,2,4-triazol-3-yl] ester Formula: C17H15N3O2S MolecularWeight: 325.3849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NC(=NN1C2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=NC(=NN1C2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-13(21)22-17-18-16(23-12-14-8-4-2-5-9-14)19-20(17)15-10-6-3-7-11-15/h2-11H,12H2,1H3