2-acetamido-N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-sulfanyl-propanamide

Systemtic Name: 2-acetamido-N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-sulfanyl-propanamide Openeye Name: 2-acetamido-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-sulfanyl-propanamide CAS Name: 2-acetamido-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-mercaptopropanamide IUPAC Name: 2-acetamido-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-sulfanylpropanamide Traditional Name: 2-acetamido-N-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-mercapto-propionamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)NC1=CC=CC2=C1C(=O)NNC2=O

Isomeric SMILES

CC(=O)NC(CS)C(=O)NC1=CC=CC2=C1C(=O)NNC2=O

InChI

InChI=1S/C13H14N4O4S/c1-6(18)14-9(5-22)12(20)15-8-4-2-3-7-10(8)13(21)17-16-11(7)19/h2-4,9,22H,5H2,1H3,(H,14,18)(H,15,20)(H,16,19)(H,17,21)