1,5-dimethyl-4-(2-morpholin-4-yl-2-sulfanylidene-ethyl)-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-(2-morpholin-4-yl-2-sulfanylidene-ethyl)-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-(2-morpholino-2-thioxo-ethyl)-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[2-(4-morpholinyl)-2-sulfanylideneethyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-(2-morpholin-4-yl-2-sulfanylideneethyl)-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-(2-morpholino-2-thioxo-ethyl)-2-phenyl-3-pyrazolin-3-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC(=S)N3CCOCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CC(=S)N3CCOCC3

InChI

InChI=1S/C17H21N3O2S/c1-13-15(12-16(23)19-8-10-22-11-9-19)17(21)20(18(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3