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

Systemtic Name: (2S)-2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(2-benzofuranyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propionate Formula: C19H20N3O3S- MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C2CCCCC2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1C2CCCCC2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O3S/c1-12(18(23)24)26-19-21-20-17(22(19)14-8-3-2-4-9-14)16-11-13-7-5-6-10-15(13)25-16/h5-7,10-12,14H,2-4,8-9H2,1H3,(H,23,24)/p-1/t12-/m0/s1