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

Systemtic Name: 4-(3-bromanyl-4-methyl-phenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(3-bromo-4-methyl-phenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(3-bromo-4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3-bromo-4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(3-bromo-4-methyl-phenyl)-5-(1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Formula: C12H9BrN5S- MolecularWeight: 335.20236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=CC=NN3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=CC=NN3)Br

InChI

InChI=1S/C12H10BrN5S/c1-7-2-3-8(6-9(7)13)18-11(16-17-12(18)19)10-4-5-14-15-10/h2-6H,1H3,(H,14,15)(H,17,19)/p-1