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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c26-21(27)15-29-22-24-23-20(25(22)13-16-7-2-1-3-8-16)14-28-19-12-6-10-17-9-4-5-11-18(17)19/h1-12H,13-15H2,(H,26,27)/p-1