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

Systemtic Name: 5-oxidanyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Openeye Name: 5-hydroxy-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one CAS Name: 5-hydroxy-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]pyran-4-one Traditional Name: 5-hydroxy-2-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]pyran-4-one Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)C(=CO3)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)C(=CO3)O

InChI

InChI=1S/C14H11N3O3S/c18-11-6-10(20-7-12(11)19)8-21-14-15-13(16-17-14)9-4-2-1-3-5-9/h1-7,19H,8H2,(H,15,16,17)