4-[[4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-2-yl]carbonyl]-2,5-dimethyl-1H-pyrazol-3-one

Systemtic Name: 4-[[4,4-dimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-2-yl]carbonyl]-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-2-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[(4,4-dimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-2-yl)-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromene-2-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-(1,1-diketo-4,4-dimethyl-2,3-dihydrothiochromene-2-carbonyl)-2,5-dimethyl-3-pyrazolin-3-one Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C)C(=O)C2CC(C3=CC=CC=C3S2(=O)=O)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C)C(=O)C2CC(C3=CC=CC=C3S2(=O)=O)(C)C

InChI

InChI=1S/C17H20N2O4S/c1-10-14(16(21)19(4)18-10)15(20)13-9-17(2,3)11-7-5-6-8-12(11)24(13,22)23/h5-8,13,18H,9H2,1-4H3