4-chloranyl-2-phenyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[(E)-3-(2-thienyl)acryloyl]piperazino]pyridazin-3-one Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C21H19ClN4O2S/c22-20-18(15-23-26(21(20)28)16-5-2-1-3-6-16)24-10-12-25(13-11-24)19(27)9-8-17-7-4-14-29-17/h1-9,14-15H,10-13H2/b9-8+