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

Systemtic Name: 2,5-dimethyl-4-[[8-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-7-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2,5-dimethyl-4-(8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonyl)-1H-pyrazol-3-one CAS Name: 2,5-dimethyl-4-[(8-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-7-yl)-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2,5-dimethyl-4-(8-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carbonyl)-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-8-methyl-3,4-dihydro-2H-thiochromene-7-carbonyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-9-12(14(19)13-10(2)17-18(3)16(13)20)7-6-11-5-4-8-23(21,22)15(9)11/h6-7,17H,4-5,8H2,1-3H3