N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

C1COC(=CO1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C17H16N2O3S/c20-17(16-11-21-8-9-22-16)19-14-3-5-15(6-4-14)23-12-13-2-1-7-18-10-13/h1-7,10-11H,8-9,12H2,(H,19,20)