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

Systemtic Name: 4-[[3,4-bis(chloranyl)-5-methyl-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2-ethyl-1H-pyrazol-3-one Openeye Name: 4-(3,4-dichloro-5-methyl-thiochromane-6-carbonyl)-2-ethyl-1H-pyrazol-3-one CAS Name: 4-[(3,4-dichloro-5-methyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 4-(3,4-dichloro-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 4-(3,4-dichloro-5-methyl-thiochroman-6-carbonyl)-2-ethyl-3-pyrazolin-3-one Formula: C16H16Cl2N2O2S MolecularWeight: 371.28144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)SCC(C3Cl)Cl)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=C(C3=C(C=C2)SCC(C3Cl)Cl)C

InChI

InChI=1S/C16H16Cl2N2O2S/c1-3-20-16(22)10(6-19-20)15(21)9-4-5-12-13(8(9)2)14(18)11(17)7-23-12/h4-6,11,14,19H,3,7H2,1-2H3