(1-phenyl-5-propyl-pyrazol-4-yl)-thiomorpholin-4-yl-methanone

Systemtic Name: (1-phenyl-5-propyl-pyrazol-4-yl)-thiomorpholin-4-yl-methanone Openeye Name: (1-phenyl-5-propyl-pyrazol-4-yl)-thiomorpholino-methanone CAS Name: (1-phenyl-5-propyl-4-pyrazolyl)-thiomorpholin-4-ylmethanone IUPAC Name: (1-phenyl-5-propylpyrazol-4-yl)-thiomorpholin-4-ylmethanone Traditional Name: (1-phenyl-5-propyl-pyrazol-4-yl)-thiomorpholino-methanone Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCSCC3

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCSCC3

InChI

InChI=1S/C17H21N3OS/c1-2-6-16-15(17(21)19-9-11-22-12-10-19)13-18-20(16)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3