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

Systemtic Name: 3-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=C(C=C(C=C2)O)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C14H17N3O4S/c1-2-3-6-17-13(21)15-16-14(17)22-8-12(20)10-5-4-9(18)7-11(10)19/h4-5,7,18-19H,2-3,6,8H2,1H3,(H,15,21)