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

Systemtic Name: 2-[[4-(4-cyclopropylnaphthalen-1-yl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 2-[[4-(4-cyclopropyl-1-naphthyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[[4-(4-cyclopropyl-1-naphthalenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid IUPAC Name: 2-[[4-(4-cyclopropylnaphthalen-1-yl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 2-[[4-(4-cyclopropyl-1-naphthyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C(=O)O)SC1=NN=C(N1C2=CC=C(C3=CC=CC=C32)C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2S/c1-25(2,23(29)30)31-24-27-26-22(17-8-4-3-5-9-17)28(24)21-15-14-18(16-12-13-16)19-10-6-7-11-20(19)21/h3-11,14-16H,12-13H2,1-2H3,(H,29,30)