5-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2,3-dihydrophthalazine-1,4-dione

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2,3-dihydrophthalazine-1,4-dione Openeye Name: 5-[(1,1-dioxothian-4-yl)amino]-2,3-dihydrophthalazine-1,4-dione CAS Name: 5-[(1,1-dioxo-4-thianyl)amino]-2,3-dihydrophthalazine-1,4-dione IUPAC Name: 5-[(1,1-dioxothian-4-yl)amino]-2,3-dihydrophthalazine-1,4-dione Traditional Name: 5-[(1,1-diketothian-4-yl)amino]-2,3-dihydrophthalazine-1,4-quinone Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NC2=CC=CC3=C2C(=O)NNC3=O

Isomeric SMILES

C1CS(=O)(=O)CCC1NC2=CC=CC3=C2C(=O)NNC3=O

InChI

InChI=1S/C13H15N3O4S/c17-12-9-2-1-3-10(11(9)13(18)16-15-12)14-8-4-6-21(19,20)7-5-8/h1-3,8,14H,4-7H2,(H,15,17)(H,16,18)