4-ethyl-5-[6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-ethyl-5-[6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(1-benzyl-6-oxo-3-pyridyl)-4-ethyl-1,2,4-triazole-3-thiolate CAS Name: 4-ethyl-5-[6-oxo-1-(phenylmethyl)-3-pyridinyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1-benzyl-6-oxopyridin-3-yl)-4-ethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(1-benzyl-6-keto-3-pyridyl)-4-ethyl-1,2,4-triazole-3-thiolate Formula: C16H15N4OS- MolecularWeight: 311.3815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS/c1-2-20-15(17-18-16(20)22)13-8-9-14(21)19(11-13)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,22)/p-1