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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[(E)-3-(3-thienyl)prop-2-enoyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[(E)-1-oxo-3-(3-thiophenyl)prop-2-enyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(E)-3-thiophen-3-ylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[(E)-3-(3-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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c22-20-18(14-23-26(21(20)28)17-4-2-1-3-5-17)24-9-11-25(12-10-24)19(27)7-6-16-8-13-29-15-16/h1-8,13-15H,9-12H2/b7-6+