5-[(4-bromanylthiophen-2-yl)methylamino]-2,3-dihydrophthalazine-1,4-dione

Systemtic Name: 5-[(4-bromanylthiophen-2-yl)methylamino]-2,3-dihydrophthalazine-1,4-dione Openeye Name: 5-[(4-bromo-2-thienyl)methylamino]-2,3-dihydrophthalazine-1,4-dione CAS Name: 5-[(4-bromo-2-thiophenyl)methylamino]-2,3-dihydrophthalazine-1,4-dione IUPAC Name: 5-[(4-bromothiophen-2-yl)methylamino]-2,3-dihydrophthalazine-1,4-dione Traditional Name: 5-[(4-bromo-2-thienyl)methylamino]-2,3-dihydrophthalazine-1,4-quinone Formula: C13H10BrN3O2S MolecularWeight: 352.2064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NCC3=CC(=CS3)Br)C(=O)NNC2=O

Isomeric SMILES

C1=CC2=C(C(=C1)NCC3=CC(=CS3)Br)C(=O)NNC2=O

InChI

InChI=1S/C13H10BrN3O2S/c14-7-4-8(20-6-7)5-15-10-3-1-2-9-11(10)13(19)17-16-12(9)18/h1-4,6,15H,5H2,(H,16,18)(H,17,19)