2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)sulfonyl]phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1H-pyridazin-3-yl)sulfonyl]phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3,5-dichloro-4-[(5-isopropyl-6-oxo-1H-pyridazin-3-yl)sulfonyl]phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfonyl]phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfonyl]phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3,5-dichloro-4-[(5-isopropyl-6-keto-1H-pyridazin-3-yl)sulfonyl]phenyl]-1,2,4-triazine-3,5-quinone Formula: C16H13Cl2N5O5S MolecularWeight: 458.27592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NNC1=O)S(=O)(=O)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl

Isomeric SMILES

CC(C)C1=CC(=NNC1=O)S(=O)(=O)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl

InChI

InChI=1S/C16H13Cl2N5O5S/c1-7(2)9-5-13(21-22-15(9)25)29(27,28)14-10(17)3-8(4-11(14)18)23-16(26)20-12(24)6-19-23/h3-7H,1-2H3,(H,22,25)(H,20,24,26)