2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-pyridinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)nicotinamide Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O3S/c1-13-20(27)26-18-11-16(8-9-19(18)29-13)25-21(28)17-3-2-10-24-22(17)30-12-14-4-6-15(23)7-5-14/h2-11,13H,12H2,1H3,(H,25,28)(H,26,27)