5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-(1-benzyl-2-oxo-3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[2-oxo-1-(phenylmethyl)-3-pyridinyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1-benzyl-2-oxopyridin-3-yl)-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-(1-benzyl-2-keto-3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C17H15N4OS- MolecularWeight: 323.3922

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1[S-])C2=CC=CN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1[S-])C2=CC=CN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-2-10-21-15(18-19-17(21)23)14-9-6-11-20(16(14)22)12-13-7-4-3-5-8-13/h2-9,11H,1,10,12H2,(H,19,23)/p-1