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

Systemtic Name: 5-[(4-bromanylphenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromophenoxy)methyl]-4-p-phenetyl-1,2,4-triazole-3-thiolate Formula: C17H15BrN3O2S- MolecularWeight: 405.2889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-2-22-14-9-5-13(6-10-14)21-16(19-20-17(21)24)11-23-15-7-3-12(18)4-8-15/h3-10H,2,11H2,1H3,(H,20,24)/p-1