4-[(2E)-2-[(5-chloranylthiophen-2-yl)methoxyimino]-1-oxidanyl-ethyl]-3-methyl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-[(2E)-2-[(5-chloranylthiophen-2-yl)methoxyimino]-1-oxidanyl-ethyl]-3-methyl-1,4-dihydropyrazol-5-one Openeye Name: 4-[(2E)-2-[(5-chloro-2-thienyl)methoxyimino]-1-hydroxy-ethyl]-3-methyl-1,4-dihydropyrazol-5-one CAS Name: 4-[(2E)-2-[(5-chloro-2-thiophenyl)methoxyimino]-1-hydroxyethyl]-3-methyl-1,4-dihydropyrazol-5-one IUPAC Name: 4-[(2E)-2-[(5-chlorothiophen-2-yl)methoxyimino]-1-hydroxyethyl]-3-methyl-1,4-dihydropyrazol-5-one Traditional Name: 4-[(2E)-2-[(5-chloro-2-thienyl)methyloximino]-1-hydroxy-ethyl]-5-methyl-2-pyrazolin-3-one Formula: C11H12ClN3O3S MolecularWeight: 301.74928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(C=NOCC2=CC=C(S2)Cl)O

Isomeric SMILES

CC1=NNC(=O)C1C(/C=N/OCC2=CC=C(S2)Cl)O

InChI

InChI=1S/C11H12ClN3O3S/c1-6-10(11(17)15-14-6)8(16)4-13-18-5-7-2-3-9(12)19-7/h2-4,8,10,16H,5H2,1H3,(H,15,17)/b13-4+