N-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3-oxidanylidene-1H-2-benzofuran-1-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3-oxo-1H-isobenzofuran-1-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3-oxo-1H-isobenzofuran-1-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-oxo-1H-2-benzofuran-1-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-phthalidyl-2-(4-pyridylmethylthio)nicotinamide Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)NC(=O)C3=C(N=CC=C3)SCC4=CC=NC=C4

InChI

InChI=1S/C20H15N3O3S/c24-17(23-18-14-4-1-2-5-15(14)20(25)26-18)16-6-3-9-22-19(16)27-12-13-7-10-21-11-8-13/h1-11,18H,12H2,(H,23,24)