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

Systemtic Name: 3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCCC(=O)O

InChI

InChI=1S/C18H23N3O3S/c1-24-15-10-6-5-9-14(15)17-19-20-18(25-12-11-16(22)23)21(17)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,22,23)