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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(1-naphthyloxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methylphenyl)-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-methylphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-naphthoxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C22H18N3O3S- MolecularWeight: 404.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c1-15-9-11-17(12-10-15)25-20(23-24-22(25)29-14-21(26)27)13-28-19-8-4-6-16-5-2-3-7-18(16)19/h2-12H,13-14H2,1H3,(H,26,27)/p-1