4-[2-(1-methylimidazol-2-yl)sulfanylethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[2-[(1-methyl-2-imidazolyl)thio]ethyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

CN1C=CN=C1SCCN=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C21H19N5O2S/c1-25-12-10-24-21(25)29-13-11-22-14-17-15-6-2-3-7-16(15)19(27)26(20(17)28)18-8-4-5-9-23-18/h2-10,12,14,17H,11,13H2,1H3