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

Systemtic Name: 4-[[4-chloranyl-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(4-chloro-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(4-chloro-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-chloro-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(4-chloro-1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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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)CCC3Cl)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3Cl)C

InChI

InChI=1S/C16H17ClN2O4S/c1-3-19-16(21)11(8-18-19)15(20)10-4-5-13-14(9(10)2)12(17)6-7-24(13,22)23/h4-5,8,12,18H,3,6-7H2,1-2H3