5-[(4-bromanylphenoxy)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromophenoxy)methyl]-4-(p-tolylsulfonylamino)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromophenoxy)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromophenoxy)methyl]-4-[(4-methylphenyl)sulfonylamino]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromophenoxy)methyl]-4-(tosylamino)-1,2,4-triazole-3-thiolate Formula: C16H14BrN4O3S2- MolecularWeight: 454.34136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4O3S2/c1-11-2-8-14(9-3-11)26(22,23)20-21-15(18-19-16(21)25)10-24-13-6-4-12(17)5-7-13/h2-9,20H,10H2,1H3,(H,19,25)/p-1