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

Systemtic Name: (2S)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: (2S)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: (2S)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C12H11BrN3O2S- MolecularWeight: 341.20364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=NN=C(N1C)C2=CC=CC=C2Br

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=NN=C(N1C)C2=CC=CC=C2Br

InChI

InChI=1S/C12H12BrN3O2S/c1-7(11(17)18)19-12-15-14-10(16(12)2)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H,17,18)/p-1/t7-/m0/s1