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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-chloranyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one Openeye Name: 4-chloro-2-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one CAS Name: 4-chloro-2-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-phenyl-1-piperazinyl)-3-pyridazinone IUPAC Name: 4-chloro-2-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-phenylpiperazin-1-yl)pyridazin-3-one Traditional Name: 4-chloro-2-[(3S)-1,1-diketothiolan-3-yl]-5-(4-phenylpiperazino)pyridazin-3-one Formula: C18H21ClN4O3S MolecularWeight: 408.90234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=O)C(=C(C=N2)N3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=O)C(=C(C=N2)N3CCN(CC3)C4=CC=CC=C4)Cl

InChI

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