2-ethyl-4-[[5-methyl-4-(methylamino)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[[5-methyl-4-(methylamino)-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[5-methyl-4-(methylamino)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[5-methyl-4-(methylamino)-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[5-methyl-4-(methylamino)-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl]-1H-pyrazol-3-one Traditional Name: 4-[1,1-diketo-5-methyl-4-(methylamino)-3,4-dihydro-2H-thiochromene-6-carbonyl]-2-ethyl-3-pyrazolin-3-one Formula: C17H21N3O4S MolecularWeight: 363.43134

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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)CCC3NC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3NC)C

InChI

InChI=1S/C17H21N3O4S/c1-4-20-17(22)12(9-19-20)16(21)11-5-6-14-15(10(11)2)13(18-3)7-8-25(14,23)24/h5-6,9,13,18-19H,4,7-8H2,1-3H3