5-(2-bromophenyl)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(2-bromophenyl)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(2-bromophenyl)-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-(2-bromophenyl)-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(2-bromophenyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(2-bromophenyl)-4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,2,4-triazole-3-thiolate Formula: C19H15BrN5OS- MolecularWeight: 441.3243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3[S-])C4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3[S-])C4=CC=CC=C4Br

InChI

InChI=1S/C19H16BrN5OS/c1-12-16(18(26)25(23(12)2)13-8-4-3-5-9-13)24-17(21-22-19(24)27)14-10-6-7-11-15(14)20/h3-11H,1-2H3,(H,22,27)/p-1