2-[[4-(4-bromanyl-3-methyl-phenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(4-bromanyl-3-methyl-phenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(4-bromo-3-methyl-phenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-bromo-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-(4-bromo-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-bromo-3-methyl-phenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H15BrN3O2S- MolecularWeight: 369.2568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NN=C2SCC(=O)[O-])C(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NN=C2SCC(=O)[O-])C(C)C)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-8(2)13-16-17-14(21-7-12(19)20)18(13)10-4-5-11(15)9(3)6-10/h4-6,8H,7H2,1-3H3,(H,19,20)/p-1