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

Systemtic Name: 4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-benzyloxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-benzoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C21H16N3OS- MolecularWeight: 358.43624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C21H17N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)17-11-13-19(14-12-17)25-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,23,26)/p-1