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

Systemtic Name: methyl (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)OC)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-14(19(25)26-2)27-20-23-22-18(16-8-10-17(21)11-9-16)24(20)13-12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/t14-/m0/s1