4-[[5-chloranyl-4,4,8-trimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-2-yl]carbonyl]-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[[5-chloranyl-4,4,8-trimethyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-2-yl]carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(5-chloro-4,4,8-trimethyl-1,1-dioxo-2,3-dihydrothiochromene-2-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(5-chloro-4,4,8-trimethyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-2-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(5-chloro-4,4,8-trimethyl-1,1-dioxo-2,3-dihydrothiochromene-2-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(5-chloro-1,1-diketo-4,4,8-trimethyl-2,3-dihydrothiochromene-2-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2CC(C3=C(C=CC(=C3S2(=O)=O)C)Cl)(C)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2CC(C3=C(C=CC(=C3S2(=O)=O)C)Cl)(C)C

InChI

InChI=1S/C18H21ClN2O4S/c1-5-21-17(23)11(9-20-21)15(22)13-8-18(3,4)14-12(19)7-6-10(2)16(14)26(13,24)25/h6-7,9,13,20H,5,8H2,1-4H3