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

Systemtic Name: 5-(1-benzofuran-2-yl)-2-(hydroxymethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(benzofuran-2-yl)-2-(hydroxymethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-benzofuranyl)-2-(hydroxymethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(1-benzofuran-2-yl)-2-(hydroxymethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(benzofuran-2-yl)-2-methylol-1,2,4-triazole-3-thione Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)CO)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C=CCN1C(=NN(C1=S)CO)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C14H13N3O2S/c1-2-7-16-13(15-17(9-18)14(16)20)12-8-10-5-3-4-6-11(10)19-12/h2-6,8,18H,1,7,9H2