2-(quinazolin-4-ylsulfanylmethyl)isoindole-1,3-dione

Systemtic Name: 2-(quinazolin-4-ylsulfanylmethyl)isoindole-1,3-dione Openeye Name: 2-(quinazolin-4-ylsulfanylmethyl)isoindoline-1,3-dione CAS Name: 2-[(4-quinazolinylthio)methyl]isoindole-1,3-dione IUPAC Name: 2-(quinazolin-4-ylsulfanylmethyl)isoindole-1,3-dione Traditional Name: 2-[(quinazolin-4-ylthio)methyl]isoindoline-1,3-quinone Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C17H11N3O2S/c21-16-11-5-1-2-6-12(11)17(22)20(16)10-23-15-13-7-3-4-8-14(13)18-9-19-15/h1-9H,10H2