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

Systemtic Name: 4-phenyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-[(4-benzyloxyphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-[(4-benzoxyphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C22H18N3O2S- MolecularWeight: 388.46222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C22H19N3O2S/c28-22-24-23-21(25(22)18-9-5-2-6-10-18)16-27-20-13-11-19(12-14-20)26-15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,24,28)/p-1