4-(2-phenylsulfanylethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-(2-phenylsulfanylethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-(2-phenylsulfanylethyliminomethyl)-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[2-(phenylthio)ethyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-(2-phenylsulfanylethyliminomethyl)-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[2-(phenylthio)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)SCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C23H19N3O2S/c27-22-19-11-5-4-10-18(19)20(23(28)26(22)21-12-6-7-13-25-21)16-24-14-15-29-17-8-2-1-3-9-17/h1-13,16,20H,14-15H2