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

Systemtic Name: 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid hydrobromide Openeye Name: 2-[[4-methyl-5-(2-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid hydrobromide CAS Name: 2-[[4-methyl-5-(2-naphthalenyloxymethyl)-1,2,4-triazol-3-yl]thio]propanoic acid hydrobromide IUPAC Name: 2-[[4-methyl-5-(naphthalen-2-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid hydrobromide Traditional Name: 2-[[4-methyl-5-(2-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]propionic acid hydrobromide Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC3=CC=CC=C3C=C2.Br

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC3=CC=CC=C3C=C2.Br

InChI

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