5-oxidanyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one

Systemtic Name: 5-oxidanyl-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Openeye Name: 5-hydroxy-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyran-4-one CAS Name: 5-hydroxy-2-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Traditional Name: 5-hydroxy-2-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]pyran-4-one Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)C(=CO4)O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)C(=CO4)O

InChI

InChI=1S/C19H20N4O3S/c24-16-11-15(26-12-17(16)25)13-27-19-21-20-18(22-9-5-2-6-10-22)23(19)14-7-3-1-4-8-14/h1,3-4,7-8,11-12,25H,2,5-6,9-10,13H2