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

Systemtic Name: 2-ethyl-4-[[4-ethylsulfanyl-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(4-ethylsulfanyl-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[4-(ethylthio)-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(4-ethylsulfanyl-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-(ethylthio)-1,1-diketo-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl]-3-pyrazolin-3-one Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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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)CCC3SCC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3SCC)C

InChI

InChI=1S/C18H22N2O4S2/c1-4-20-18(22)13(10-19-20)17(21)12-6-7-15-16(11(12)3)14(25-5-2)8-9-26(15,23)24/h6-7,10,14,19H,4-5,8-9H2,1-3H3