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

Systemtic Name: 2-[[4-methyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-methyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-methyl-5-(1-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-methyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-methyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H17N3O3S/c1-11(16(21)22)24-17-19-18-15(20(17)2)10-23-14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,21,22)