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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3CCCCC3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3CCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-12(17(22)23)25-18-20-19-16(13-6-4-3-5-7-13)21(18)14-8-10-15(24-2)11-9-14/h8-13H,3-7H2,1-2H3,(H,22,23)