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

Systemtic Name: 2-(hydroxymethyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-benzyloxyphenyl)-2-(hydroxymethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-(hydroxymethyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(hydroxymethyl)-4-phenyl-5-(4-phenylmethoxyphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-benzoxyphenyl)-2-methylol-4-phenyl-1,2,4-triazole-3-thione Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C(=S)N3C4=CC=CC=C4)CO

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C(=S)N3C4=CC=CC=C4)CO

InChI

InChI=1S/C22H19N3O2S/c26-16-24-22(28)25(19-9-5-2-6-10-19)21(23-24)18-11-13-20(14-12-18)27-15-17-7-3-1-4-8-17/h1-14,26H,15-16H2