5-[(4-bromanyl-2-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(4-bromanyl-2-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-bromo-2-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(4-bromo-2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(4-bromo-2-ethylphenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-bromo-2-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C12H13BrN3OS- MolecularWeight: 327.22012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC2=NN=C(N2C)[S-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC2=NN=C(N2C)[S-]

InChI

InChI=1S/C12H14BrN3OS/c1-3-8-6-9(13)4-5-10(8)17-7-11-14-15-12(18)16(11)2/h4-6H,3,7H2,1-2H3,(H,15,18)/p-1