2-[(3-bromophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2-oxolanylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(tetrahydrofurfuryl)nicotinamide Formula: C18H19BrN2O2S MolecularWeight: 407.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H19BrN2O2S/c19-14-5-1-4-13(10-14)12-24-18-16(7-2-8-20-18)17(22)21-11-15-6-3-9-23-15/h1-2,4-5,7-8,10,15H,3,6,9,11-12H2,(H,21,22)