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

Systemtic Name: 5-[4-[(2-bromanylphenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[4-[(2-bromophenoxy)methyl]phenyl]-4-o-phenetyl-1,2,4-triazole-3-thiolate Formula: C23H19BrN3O2S- MolecularWeight: 481.38486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)COC4=CC=CC=C4Br

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2[S-])C3=CC=C(C=C3)COC4=CC=CC=C4Br

InChI

InChI=1S/C23H20BrN3O2S/c1-2-28-21-10-6-4-8-19(21)27-22(25-26-23(27)30)17-13-11-16(12-14-17)15-29-20-9-5-3-7-18(20)24/h3-14H,2,15H2,1H3,(H,26,30)/p-1