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

Systemtic Name: (2R)-2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[4-cyclohexyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[(4-cyclohexyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]propionate Formula: C19H24N3O3S- MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SC(C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C19H25N3O3S/c1-3-25-16-11-9-14(10-12-16)17-20-21-19(26-13(2)18(23)24)22(17)15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H,23,24)/p-1/t13-/m1/s1