5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-bromophenyl)-4-(3,5-dimethylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H13BrN3S- MolecularWeight: 359.26352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3S/c1-10-7-11(2)9-14(8-10)20-15(18-19-16(20)21)12-3-5-13(17)6-4-12/h3-9H,1-2H3,(H,19,21)/p-1