5-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C14H17BrN3OS- MolecularWeight: 355.27328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NN=C(N2C)[S-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NN=C(N2C)[S-]

InChI

InChI=1S/C14H18BrN3OS/c1-8(2)10-6-11(15)9(3)5-12(10)19-7-13-16-17-14(20)18(13)4/h5-6,8H,7H2,1-4H3,(H,17,20)/p-1