5-[(2-iodanylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2-iodanylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(2-iodophenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(2-iodophenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-iodophenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(2-iodophenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C15H11IN3OS- MolecularWeight: 408.23681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC=C3I

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])COC3=CC=CC=C3I

InChI

InChI=1S/C15H12IN3OS/c16-12-8-4-5-9-13(12)20-10-14-17-18-15(21)19(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)/p-1