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

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromophenoxy)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromophenoxy)methyl]-4-(o-tolyl)-1,2,4-triazole-3-thiolate Formula: C16H13BrN3OS- MolecularWeight: 375.26292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN3OS/c1-11-4-2-3-5-14(11)20-15(18-19-16(20)22)10-21-13-8-6-12(17)7-9-13/h2-9H,10H2,1H3,(H,19,22)/p-1