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

Systemtic Name: 3-[[4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid Openeye Name: 3-[[4-(2-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoic acid CAS Name: 3-[[4-(2-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid IUPAC Name: 3-[[4-(2-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoic acid Traditional Name: 3-[[4-(2-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC(CSC1=NN=C(N1C2=CC=CC=C2OC)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C18H18N4O3S/c1-12(17(23)24)11-26-18-21-20-16(13-6-5-9-19-10-13)22(18)14-7-3-4-8-15(14)25-2/h3-10,12H,11H2,1-2H3,(H,23,24)