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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3-bromo-4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-bromo-4-methoxy-benzyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H13BrN3OS- MolecularWeight: 375.26292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)[S-])Br

InChI

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