2-[[4-cyclohexyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-cyclohexyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-cyclohexyl-5-(4-isobutoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclohexyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-cyclohexyl-5-[4-(2-methylpropoxy)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-cyclohexyl-5-(4-isobutoxyphenyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C20H26N3O3S- MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-14(2)12-26-17-10-8-15(9-11-17)19-21-22-20(27-13-18(24)25)23(19)16-6-4-3-5-7-16/h8-11,14,16H,3-7,12-13H2,1-2H3,(H,24,25)/p-1