3-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-bromanyl-3,5-dimethyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(4-bromo-3,5-dimethyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-bromo-3,5-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-bromo-3,5-dimethylphenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-bromo-3,5-dimethyl-phenoxy)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)OCC2=NNC(=S)N2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)OCC2=NNC(=S)N2C3=CC=CC=C3

InChI

InChI=1S/C17H16BrN3OS/c1-11-8-14(9-12(2)16(11)18)22-10-15-19-20-17(23)21(15)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,23)