2-[[5-[(2-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C20H20N3O3S- MolecularWeight: 382.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-15-7-5-6-10-17(15)26-13-18-21-22-20(27-14-19(24)25)23(18)12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,24,25)/p-1