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

Systemtic Name: (2S)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C17H13BrN3O2S- MolecularWeight: 403.27302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-11(16(22)23)24-17-20-19-15(12-7-9-13(18)10-8-12)21(17)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,23)/p-1/t11-/m0/s1