1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3,4-dihydroxyphenyl)-2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3,4-dihydroxyphenyl)-2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3,4-dihydroxyphenyl)-2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

C1=COC(=C1)C2=NC(=NN2)SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C14H11N3O4S/c18-9-4-3-8(6-10(9)19)11(20)7-22-14-15-13(16-17-14)12-2-1-5-21-12/h1-6,18-19H,7H2,(H,15,16,17)