6-[(4-fluorophenyl)methyl]-5-oxidanylidene-N-(1,3,5-trimethylpyrazol-4-yl)thiomorpholine-3-carboxamide

Systemtic Name: 6-[(4-fluorophenyl)methyl]-5-oxidanylidene-N-(1,3,5-trimethylpyrazol-4-yl)thiomorpholine-3-carboxamide Openeye Name: 6-[(4-fluorophenyl)methyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)thiomorpholine-3-carboxamide CAS Name: 6-[(4-fluorophenyl)methyl]-5-oxo-N-(1,3,5-trimethyl-4-pyrazolyl)-3-thiomorpholinecarboxamide IUPAC Name: 6-[(4-fluorophenyl)methyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)thiomorpholine-3-carboxamide Traditional Name: 6-(4-fluorobenzyl)-5-keto-N-(1,3,5-trimethylpyrazol-4-yl)thiomorpholine-3-carboxamide Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C2CSC(C(=O)N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O2S/c1-10-16(11(2)23(3)22-10)21-17(24)14-9-26-15(18(25)20-14)8-12-4-6-13(19)7-5-12/h4-7,14-15H,8-9H2,1-3H3,(H,20,25)(H,21,24)