3-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)O)O

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C13H15N3O4S/c1-2-5-16-12(20)14-15-13(16)21-7-11(19)8-3-4-9(17)10(18)6-8/h3-4,6,17-18H,2,5,7H2,1H3,(H,14,20)