(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-thiomorpholin-4-yl-prop-2-en-1-one

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-thiomorpholin-4-yl-prop-2-en-1-one Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-thiomorpholino-prop-2-en-1-one CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-thiomorpholin-4-yl-2-propen-1-one IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-thiomorpholin-4-ylprop-2-en-1-one Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-thiomorpholino-prop-2-en-1-one Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CCSCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N3CCSCC3

InChI

InChI=1S/C18H21N3OS/c1-14-17(8-9-18(22)20-10-12-23-13-11-20)15(2)21(19-14)16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3/b9-8+