2-ethyl-4-[[(4E)-4-methoxyimino-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbothioyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[[(4E)-4-methoxyimino-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbothioyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[(4E)-4-methoxyimino-1,1-dioxo-2,3-dihydrothiochromene-6-carbothioyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[(4E)-4-methoxyimino-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl]-sulfanylidenemethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[(4E)-4-methoxyimino-1,1-dioxo-2,3-dihydrothiochromene-6-carbothioyl]-1H-pyrazol-3-one Traditional Name: 4-[(4E)-1,1-diketo-4-methyloximino-2,3-dihydrothiochromene-6-carbothioyl]-2-ethyl-3-pyrazolin-3-one Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=S)C2=CC3=C(C=C2)S(=O)(=O)CCC3=NOC

Isomeric SMILES

CCN1C(=O)C(=CN1)C(=S)C2=CC\3=C(C=C2)S(=O)(=O)CC/C3=N\OC

InChI

InChI=1S/C16H17N3O4S2/c1-3-19-16(20)12(9-17-19)15(24)10-4-5-14-11(8-10)13(18-23-2)6-7-25(14,21)22/h4-5,8-9,17H,3,6-7H2,1-2H3/b18-13+