2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)pyran-4-one

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)pyran-4-one Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-[2-oxo-2-(1-piperidyl)ethoxy]pyran-4-one CAS Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-5-[2-oxo-2-(1-piperidinyl)ethoxy]-4-pyranone IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one Traditional Name: 5-(2-keto-2-piperidino-ethoxy)-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]pyran-4-one Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=CC(=O)C(=CO2)OCC(=O)N3CCCCC3

Isomeric SMILES

CN1C=NN=C1SCC2=CC(=O)C(=CO2)OCC(=O)N3CCCCC3

InChI

InChI=1S/C16H20N4O4S/c1-19-11-17-18-16(19)25-10-12-7-13(21)14(8-23-12)24-9-15(22)20-5-3-2-4-6-20/h7-8,11H,2-6,9-10H2,1H3