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

Systemtic Name: 3-[[4-methyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-methyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-methyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-methyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C17H16N3O3S- MolecularWeight: 342.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H17N3O3S/c1-20-15(18-19-17(20)24-10-9-16(21)22)11-23-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-11H2,1H3,(H,21,22)/p-1