2-ethyl-4-[[5-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[[5-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(5-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[(5-methyl-1,1,4-trioxo-2,3-dihydro-1-benzothiopyran-6-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(5-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(1,1,4-triketo-5-methyl-2,3-dihydrothiochromene-6-carbonyl)-3-pyrazolin-3-one Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3=O)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3=O)C

InChI

InChI=1S/C16H16N2O5S/c1-3-18-16(21)11(8-17-18)15(20)10-4-5-13-14(9(10)2)12(19)6-7-24(13,22)23/h4-5,8,17H,3,6-7H2,1-2H3