2-[[5-(naphthalen-1-yloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-naphthyloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-naphthalenyloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(naphthalen-1-yloxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(1-naphthoxymethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O3S/c27-22(28)16-30-23-25-24-21(26(23)14-13-17-7-2-1-3-8-17)15-29-20-12-6-10-18-9-4-5-11-19(18)20/h1-12H,13-16H2,(H,27,28)