ethyl (2R)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl (2R)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl (2R)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[5-(2-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C15H18BrN3O2S MolecularWeight: 384.29132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C)C2=CC=CC=C2Br

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O2S/c1-4-12(14(20)21-5-2)22-15-18-17-13(19(15)3)10-8-6-7-9-11(10)16/h6-9,12H,4-5H2,1-3H3/t12-/m1/s1