2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-N-methyl-N-[(2-nitrophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-methyl-N-(2-nitrobenzyl)nicotinamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=C(N=CC=C2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=C(N=CC=C2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O3S/c1-24(13-16-5-2-3-7-19(16)25(27)28)21(26)18-6-4-12-23-20(18)29-14-15-8-10-17(22)11-9-15/h2-12H,13-14H2,1H3