2,5-dimethyl-4-[[8-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromen-7-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2,5-dimethyl-4-[[8-methyl-1,1,4-tris(oxidanylidene)-2,3-dihydrothiochromen-7-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(8-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-7-carbonyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(8-methyl-1,1,4-trioxo-2,3-dihydro-1-benzothiopyran-7-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(8-methyl-1,1,4-trioxo-2,3-dihydrothiochromene-7-carbonyl)-1H-pyrazol-3-one Traditional Name: 2,5-dimethyl-4-(1,1,4-triketo-8-methyl-2,3-dihydrothiochromene-7-carbonyl)-3-pyrazolin-3-one Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1S(=O)(=O)CCC2=O)C(=O)C3=C(NN(C3=O)C)C

Isomeric SMILES

CC1=C(C=CC2=C1S(=O)(=O)CCC2=O)C(=O)C3=C(NN(C3=O)C)C

InChI

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