4-(4-bromanyl-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromanyl-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromo-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromo-2-methylphenyl)-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromo-2-methylphenyl)-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromo-2-methyl-phenyl)-5-propyl-1,2,4-triazole-3-thiolate Formula: C12H13BrN3S- MolecularWeight: 311.22072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=C(C=C(C=C2)Br)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1C2=C(C=C(C=C2)Br)C)[S-]

InChI

InChI=1S/C12H14BrN3S/c1-3-4-11-14-15-12(17)16(11)10-6-5-9(13)7-8(10)2/h5-7H,3-4H2,1-2H3,(H,15,17)/p-1