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

Systemtic Name: 2-[[4-methyl-5-[3-(naphthalen-1-ylcarbonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-[3-(naphthalene-1-carbonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[3-[[1-naphthalenyl(oxo)methyl]amino]phenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-[3-(naphthalene-1-carbonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-[3-(1-naphthoylamino)phenyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C22H17N4O3S- MolecularWeight: 417.46038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC(=CC=C2)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N4O3S/c1-26-20(24-25-22(26)30-13-19(27)28)15-8-4-9-16(12-15)23-21(29)18-11-5-7-14-6-2-3-10-17(14)18/h2-12H,13H2,1H3,(H,23,29)(H,27,28)/p-1