3-[[4-(4-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-(4-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(1-naphthyloxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-methylphenyl)-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-(4-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(1-naphthoxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C23H20N3O3S- MolecularWeight: 418.4882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O3S/c1-16-9-11-18(12-10-16)26-21(24-25-23(26)30-14-13-22(27)28)15-29-20-8-4-6-17-5-2-3-7-19(17)20/h2-12H,13-15H2,1H3,(H,27,28)/p-1