2-ethyl-4-[(4-oxidanylidene-2,3-dihydrothiochromen-6-yl)carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[(4-oxidanylidene-2,3-dihydrothiochromen-6-yl)carbonyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-(4-oxothiochromane-6-carbonyl)-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[oxo-(4-oxo-2,3-dihydro-1-benzothiopyran-6-yl)methyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-(4-oxo-2,3-dihydrothiochromene-6-carbonyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-(4-ketothiochroman-6-carbonyl)-3-pyrazolin-3-one Formula: C15H14N2O3S MolecularWeight: 302.34826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=O)C2=CC3=C(C=C2)SCCC3=O

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=O)C2=CC3=C(C=C2)SCCC3=O

InChI

InChI=1S/C15H14N2O3S/c1-2-17-15(20)11(8-16-17)14(19)9-3-4-13-10(7-9)12(18)5-6-21-13/h3-4,7-8,16H,2,5-6H2,1H3