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

Systemtic Name: 2-(hydroxymethyl)-5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-benzyloxyphenyl)-2-(hydroxymethyl)-1,2,4-triazole-3-thione CAS Name: 2-(hydroxymethyl)-5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-(hydroxymethyl)-5-(4-phenylmethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-benzoxyphenyl)-2-methylol-1,2,4-triazole-3-thione Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CO)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN(C1=S)CO)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-2-12-21-18(20-22(14-23)19(21)25)16-8-10-17(11-9-16)24-13-15-6-4-3-5-7-15/h2-11,23H,1,12-14H2