5-oxidanyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one

Systemtic Name: 5-oxidanyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 5-hydroxy-2-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Traditional Name: 2-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-hydroxy-pyran-4-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=O)C(=CO2)O)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=O)C(=CO2)O)C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O3S/c1-2-7-20-15(11-3-5-17-6-4-11)18-19-16(20)24-10-12-8-13(21)14(22)9-23-12/h2-6,8-9,22H,1,7,10H2