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

Systemtic Name: 3-[4-[(2-bromanylphenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-[(2-bromophenoxy)methyl]phenyl]-4-o-phenetyl-1H-1,2,4-triazole-5-thione Formula: C23H20BrN3O2S MolecularWeight: 482.3928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)COC4=CC=CC=C4Br

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NNC2=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)