(4S)-4-[2-(furan-2-ylmethylsulfanyl)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-[2-(furan-2-ylmethylsulfanyl)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-[2-(2-furylmethylsulfanyl)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[2-(2-furanylmethylthio)ethyliminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-[2-(furan-2-ylmethylsulfanyl)ethyliminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-[2-(2-furfurylthio)ethyliminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)N(C2=O)C3=CC=CC=N3)C=NCCSCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)[C@H](C(=O)N(C2=O)C3=CC=CC=N3)C=NCCSCC4=CC=CO4

InChI

InChI=1S/C22H19N3O3S/c26-21-18-8-2-1-7-17(18)19(22(27)25(21)20-9-3-4-10-24-20)14-23-11-13-29-15-16-6-5-12-28-16/h1-10,12,14,19H,11,13,15H2/t19-/m1/s1