5-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-2-phenyl-pyridazin-3-one Formula: C18H22ClN4O3S+ MolecularWeight: 409.91028

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C18H21ClN4O3S/c19-17-16(12-20-23(18(17)24)14-4-2-1-3-5-14)22-9-7-21(8-10-22)15-6-11-27(25,26)13-15/h1-5,12,15H,6-11,13H2/p+1/t15-/m0/s1