2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]carbothioyl]-1H-pyrazol-3-one

Systemtic Name: 2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]carbothioyl]-1H-pyrazol-3-one Openeye Name: 2-ethyl-4-[(4Z)-4-methoxyimino-5-methyl-thiochromane-6-carbothioyl]-1H-pyrazol-3-one CAS Name: 2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydro-1-benzothiopyran-6-yl]-sulfanylidenemethyl]-1H-pyrazol-3-one IUPAC Name: 2-ethyl-4-[(4Z)-4-methoxyimino-5-methyl-2,3-dihydrothiochromene-6-carbothioyl]-1H-pyrazol-3-one Traditional Name: 2-ethyl-4-[(4Z)-5-methyl-4-methyloximino-thiochroman-6-carbothioyl]-3-pyrazolin-3-one Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN1)C(=S)C2=C(C3=C(C=C2)SCCC3=NOC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S2/c1-4-20-17(21)12(9-18-20)16(23)11-5-6-14-15(10(11)2)13(19-22-3)7-8-24-14/h5-6,9,18H,4,7-8H2,1-3H3/b19-13-