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

Systemtic Name: 3-[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)C3=C(C=C(C=C3)O)O

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C13H13N3O4S/c17-8-3-4-9(10(18)5-8)11(19)6-21-13-15-14-12(20)16(13)7-1-2-7/h3-5,7,17-18H,1-2,6H2,(H,14,20)