N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-piperonyl-nicotinamide Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN2O3S/c22-16-6-3-14(4-7-16)12-28-21-17(2-1-9-23-21)20(25)24-11-15-5-8-18-19(10-15)27-13-26-18/h1-10H,11-13H2,(H,24,25)