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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CCS(=O)(=O)C2=C1C(=C(C=C2)C(=O)C3=C(NN(C3=O)C)C)C

Isomeric SMILES

CCSC1CCS(=O)(=O)C2=C1C(=C(C=C2)C(=O)C3=C(NN(C3=O)C)C)C

InChI

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