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

Systemtic Name: methyl (2R)-2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl (2R)-2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(4-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NN=C(N1CC=C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrN3O2S/c1-4-9-19-13(11-5-7-12(16)8-6-11)17-18-15(19)22-10(2)14(20)21-3/h4-8,10H,1,9H2,2-3H3/t10-/m1/s1