(2R)-2-[[4-cyclohexyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: (2R)-2-[[4-cyclohexyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[4-cyclohexyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-cyclohexyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[4-cyclohexyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-cyclohexyl-5-(4-propoxyphenyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C20H26N3O3S- MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SC(C)C(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-3-13-26-17-11-9-15(10-12-17)18-21-22-20(27-14(2)19(24)25)23(18)16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H,24,25)/p-1/t14-/m1/s1