S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 2,3-dihydro-1H-isoindole-1-carbothioate

Systemtic Name: S-(4-oxidanylidenepyrido[1,2-a]pyrimidin-9-yl) 2,3-dihydro-1H-isoindole-1-carbothioate Openeye Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) isoindoline-1-carbothioate CAS Name: 2,3-dihydro-1H-isoindole-1-carbothioic acid S-(4-oxo-9-pyrido[1,2-a]pyrimidinyl) ester IUPAC Name: S-(4-oxopyrido[1,2-a]pyrimidin-9-yl) 2,3-dihydro-1H-isoindole-1-carbothioate Traditional Name: isoindoline-1-carbothioic acid S-(4-ketopyrido[1,2-a]pyrimidin-9-yl) ester Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(N1)C(=O)SC3=CC=CN4C3=NC=CC4=O

Isomeric SMILES

C1C2=CC=CC=C2C(N1)C(=O)SC3=CC=CN4C3=NC=CC4=O

InChI

InChI=1S/C17H13N3O2S/c21-14-7-8-18-16-13(6-3-9-20(14)16)23-17(22)15-12-5-2-1-4-11(12)10-19-15/h1-9,15,19H,10H2