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

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

COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)C3CCCCC3

InChI

InChI=1S/C18H23N3O3S/c1-24-15-9-7-14(8-10-15)21-17(13-5-3-2-4-6-13)19-20-18(21)25-12-11-16(22)23/h7-10,13H,2-6,11-12H2,1H3,(H,22,23)