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

Systemtic Name: (2S)-2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(2-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propionate Formula: C17H19BrN3O2S- MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3Br

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1C2CCCCC2)C3=CC=CC=C3Br

InChI

InChI=1S/C17H20BrN3O2S/c1-11(16(22)23)24-17-20-19-15(13-9-5-6-10-14(13)18)21(17)12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,23)/p-1/t11-/m0/s1