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

Systemtic Name: 2-[(5-bromanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[[5-bromo-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[[5-bromo-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[(5-bromo-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[5-bromo-4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)(C(=O)O)SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C16H14BrN3O2S/c1-16(2,13(21)22)23-15-19-18-14(17)20(15)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,21,22)