2-[[4-methyl-5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-methyl-5-[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(1-benzyl-2-oxo-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-[2-oxo-1-(phenylmethyl)-3-pyridinyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(1-benzyl-2-oxopyridin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(1-benzyl-2-keto-3-pyridyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C17H15N4O3S- MolecularWeight: 355.391

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])C2=CC=CN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])C2=CC=CN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-20-15(18-19-17(20)25-11-14(22)23)13-8-5-9-21(16(13)24)10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,22,23)/p-1