2-ethyl-4-[3-(methoxymethyl)-2,4-dimethyl-phenyl]carbothioyl-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[3-(methoxymethyl)-2,4-dimethyl-phenyl]carbothioyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[3-(methoxymethyl)-2,4-dimethyl-benzenecarbothioyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[3-(methoxymethyl)-2,4-dimethylphenyl]-sulfanylidenemethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[3-(methoxymethyl)-2,4-dimethylbenzenecarbothioyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[3-(methoxymethyl)-2,4-dimethyl-thiobenzoyl]-3-pyrazolin-3-one Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=S)C2=C(C(=C(C=C2)C)COC)C

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=S)C2=C(C(=C(C=C2)C)COC)C

InChI

InChI=1S/C16H20N2O2S/c1-5-18-16(19)13(8-17-18)15(21)12-7-6-10(2)14(9-20-4)11(12)3/h6-8,17H,5,9H2,1-4H3