N-(4-fluorophenyl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(4-fluorophenyl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide CAS Name: N-(4-fluorophenyl)-6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-pyridinecarboxamide IUPAC Name: 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)pyridine-3-carboxamide Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-N-(4-fluorophenyl)nicotinamide Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O2S/c22-17-7-9-18(10-8-17)25-21(27)16-6-11-20(24-13-16)28-14-19(26)23-12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,26)(H,25,27)