4-nitro-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]isoindoline-1,3-quinone Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1SC=C2)C3=CC=CC=C3)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=C1SC=C2)C3=CC=CC=C3)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c26-21-16-7-4-8-17(25(28)29)19(16)22(27)24(21)13-23-11-9-18-15(10-12-30-18)20(23)14-5-2-1-3-6-14/h1-8,10,12,20H,9,11,13H2