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

Systemtic Name: 2-ethyl-4-[[4-ethylsulfanyl-3,3,5-trimethyl-1,1-bis(oxidanylidene)-2,4-dihydrothiochromen-6-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(4-ethylsulfanyl-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[4-(ethylthio)-3,3,5-trimethyl-1,1-dioxo-2,4-dihydro-1-benzothiopyran-6-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(4-ethylsulfanyl-3,3,5-trimethyl-1,1-dioxo-2,4-dihydrothiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[4-(ethylthio)-1,1-diketo-3,3,5-trimethyl-2,4-dihydrothiochromene-6-carbonyl]-3-pyrazolin-3-one Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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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)CC(C3SCC)(C)C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CC(C3SCC)(C)C)C

InChI

InChI=1S/C20H26N2O4S2/c1-6-22-19(24)14(10-21-22)17(23)13-8-9-15-16(12(13)3)18(27-7-2)20(4,5)11-28(15,25)26/h8-10,18,21H,6-7,11H2,1-5H3