4-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(3-bromanyl-4-methoxy-phenyl)methyl]-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-[(3-bromo-4-methoxy-phenyl)methyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(3-bromo-4-methoxyphenyl)methyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromo-4-methoxy-benzyl)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate Formula: C17H14BrClN3O2S- MolecularWeight: 439.73396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl)Br

InChI

InChI=1S/C17H15BrClN3O2S/c1-23-15-7-2-11(8-14(15)18)9-22-16(20-21-17(22)25)10-24-13-5-3-12(19)4-6-13/h2-8H,9-10H2,1H3,(H,21,25)/p-1