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

Systemtic Name: 2-[[5-bromanyl-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[5-bromo-4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)Br

Isomeric SMILES

CC(C)(C(=O)O)SC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-19(2,16(24)25)26-18-22-21-17(20)23(18)15-10-9-12(11-7-8-11)13-5-3-4-6-14(13)15/h3-6,9-11H,7-8H2,1-2H3,(H,24,25)