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

Systemtic Name: (2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NN=C(N1C2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H23N3O3S/c1-12(17(22)23)25-18-20-19-16(13-8-10-15(24-2)11-9-13)21(18)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,22,23)/p-1/t12-/m1/s1