2-[[4-(2-bromanyl-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(2-bromanyl-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-bromo-4-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-bromo-4-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)O)C3CC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)O)C3CC3)Br

InChI

InChI=1S/C14H14BrN3O2S/c1-8-2-5-11(10(15)6-8)18-13(9-3-4-9)16-17-14(18)21-7-12(19)20/h2,5-6,9H,3-4,7H2,1H3,(H,19,20)