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

Systemtic Name: zinc 5-(4-bromophenyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: zinc 5-(4-bromophenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: zinc 5-(4-bromophenyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: zinc 5-(4-bromophenyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: zinc 5-(4-bromophenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C28H18Br2N6S2Zn MolecularWeight: 727.82972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br.C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br.C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)Br.[Zn+2]

InChI

InChI=1S/2C14H10BrN3S.Zn/c2*15-11-8-6-10(7-9-11)13-16-17-14(19)18(13)12-4-2-1-3-5-12;/h2*1-9H,(H,17,19);/q;;+2/p-2