4-[(4-chloranyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2-ethyl-1H-pyrazol-3-one

Systemtic Name: 4-[(4-chloranyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(4-chlorothiochromane-6-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(4-chloro-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-chloro-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(4-chlorothiochroman-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC3=C(C=C2)SCCC3Cl

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC3=C(C=C2)SCCC3Cl

InChI

InChI=1S/C15H15ClN2O2S/c1-2-18-15(20)11(8-17-18)14(19)9-3-4-13-10(7-9)12(16)5-6-21-13/h3-4,7-8,12,17H,2,5-6H2,1H3