N-(5-oxidanylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(5-oxidanylidene-7,8-dihydro-6H-naphthalen-2-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(1-oxotetralin-6-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(1-ketotetralin-6-yl)-2-(4-pyridylmethylthio)nicotinamide Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4)C(=O)C1

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4)C(=O)C1

InChI

InChI=1S/C22H19N3O2S/c26-20-5-1-3-16-13-17(6-7-18(16)20)25-21(27)19-4-2-10-24-22(19)28-14-15-8-11-23-12-9-15/h2,4,6-13H,1,3,5,14H2,(H,25,27)