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

Systemtic Name: (phenylmethyl) 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c28-22(29-17-20-12-6-2-7-13-20)18-30-24-26-25-23(21-14-8-3-9-15-21)27(24)16-19-10-4-1-5-11-19/h1-15H,16-18H2