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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-(4-methoxyphenyl)-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-(4-methoxyphenyl)-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-(4-methoxyphenyl)-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-(4-methoxyphenyl)-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C23H20N3O4S- MolecularWeight: 434.4876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)[O-])COC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O4S/c1-29-18-11-9-17(10-12-18)26-21(24-25-23(26)31-14-13-22(27)28)15-30-20-8-4-6-16-5-2-3-7-19(16)20/h2-12H,13-15H2,1H3,(H,27,28)/p-1