6-[(2-fluorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxidanylidene-thiomorpholine-3-carboxamide

Systemtic Name: 6-[(2-fluorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxidanylidene-thiomorpholine-3-carboxamide Openeye Name: 6-[(2-fluorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxo-thiomorpholine-3-carboxamide CAS Name: 6-[(2-fluorophenyl)methyl]-N-(1-methyl-4-pyrazolyl)-5-oxo-3-thiomorpholinecarboxamide IUPAC Name: 6-[(2-fluorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-5-oxothiomorpholine-3-carboxamide Traditional Name: 6-(2-fluorobenzyl)-5-keto-N-(1-methylpyrazol-4-yl)thiomorpholine-3-carboxamide Formula: C16H17FN4O2S MolecularWeight: 348.395183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)NC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

Isomeric SMILES

CN1C=C(C=N1)NC(=O)C2CSC(C(=O)N2)CC3=CC=CC=C3F

InChI

InChI=1S/C16H17FN4O2S/c1-21-8-11(7-18-21)19-15(22)13-9-24-14(16(23)20-13)6-10-4-2-3-5-12(10)17/h2-5,7-8,13-14H,6,9H2,1H3,(H,19,22)(H,20,23)