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

Systemtic Name: 5-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Openeye Name: 5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione CAS Name: 5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Traditional Name: 5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-1,2-dihydro-1,2,4-triazole-3-thione Formula: C13H16BrN3OS MolecularWeight: 342.25464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NC(=S)NN2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NC(=S)NN2

InChI

InChI=1S/C13H16BrN3OS/c1-7(2)9-5-10(14)8(3)4-11(9)18-6-12-15-13(19)17-16-12/h4-5,7H,6H2,1-3H3,(H2,15,16,17,19)