4-(4-bromanyl-2-methyl-phenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromanyl-2-methyl-phenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromo-2-methyl-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromo-2-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromo-2-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromo-2-methyl-phenyl)-1,2,4-triazole-3-thiolate Formula: C9H7BrN3S- MolecularWeight: 269.14098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C=NN=C2[S-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C=NN=C2[S-]

InChI

InChI=1S/C9H8BrN3S/c1-6-4-7(10)2-3-8(6)13-5-11-12-9(13)14/h2-5H,1H3,(H,12,14)/p-1