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

Systemtic Name: 4-[(4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]-2,5-dimethyl-1H-pyrazol-3-one Openeye Name: 4-(4-ethylsulfanyl-5-methyl-thiochromane-6-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one CAS Name: 4-[[4-(ethylthio)-5-methyl-3,4-dihydro-2H-1-benzothiopyran-6-yl]-oxomethyl]-2,5-dimethyl-1H-pyrazol-3-one IUPAC Name: 4-(4-ethylsulfanyl-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2,5-dimethyl-1H-pyrazol-3-one Traditional Name: 4-[4-(ethylthio)-5-methyl-thiochroman-6-carbonyl]-2,5-dimethyl-3-pyrazolin-3-one Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CCSC2=C1C(=C(C=C2)C(=O)C3=C(NN(C3=O)C)C)C

Isomeric SMILES

CCSC1CCSC2=C1C(=C(C=C2)C(=O)C3=C(NN(C3=O)C)C)C

InChI

InChI=1S/C18H22N2O2S2/c1-5-23-14-8-9-24-13-7-6-12(10(2)15(13)14)17(21)16-11(3)19-20(4)18(16)22/h6-7,14,19H,5,8-9H2,1-4H3