2-[[4-(3-bromophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-bromophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-bromophenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-bromophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-bromophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-bromophenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=CC(=CC=C2)Br)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2=CC(=CC=C2)Br)SCC(=O)O

InChI

InChI=1S/C13H14BrN3O2S/c1-8(2)12-15-16-13(20-7-11(18)19)17(12)10-5-3-4-9(14)6-10/h3-6,8H,7H2,1-2H3,(H,18,19)