2-methyl-1,3-bis(oxidanylidene)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]isoindole-5-carboxamide

Systemtic Name: 2-methyl-1,3-bis(oxidanylidene)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]isoindole-5-carboxamide Openeye Name: 2-methyl-1,3-dioxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]isoindoline-5-carboxamide CAS Name: 2-methyl-1,3-dioxo-N-[4-(3-pyridinylmethylthio)phenyl]-5-isoindolecarboxamide IUPAC Name: 2-methyl-1,3-dioxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-methyl-N-[4-(3-pyridylmethylthio)phenyl]isoindoline-5-carboxamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H17N3O3S/c1-25-21(27)18-9-4-15(11-19(18)22(25)28)20(26)24-16-5-7-17(8-6-16)29-13-14-3-2-10-23-12-14/h2-12H,13H2,1H3,(H,24,26)