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

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-bromo-4-methyl-phenyl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate CAS Name: 4-(2-bromo-4-methylphenyl)-5-(2-pyrazinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-bromo-4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-bromo-4-methyl-phenyl)-5-pyrazin-2-yl-1,2,4-triazole-3-thiolate Formula: C13H9BrN5S- MolecularWeight: 347.21306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=NC=CN=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3=NC=CN=C3)Br

InChI

InChI=1S/C13H10BrN5S/c1-8-2-3-11(9(14)6-8)19-12(17-18-13(19)20)10-7-15-4-5-16-10/h2-7H,1H3,(H,18,20)/p-1