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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one CAS Name: 4-chloro-5-[4-[(E)-1-oxo-3-(phenylthio)prop-2-enyl]-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-[(E)-3-(phenylthio)acryloyl]piperazino]pyridazin-3-one Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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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=CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)/C=C/SC4=CC=CC=C4

InChI

InChI=1S/C23H21ClN4O2S/c24-22-20(17-25-28(23(22)30)18-7-3-1-4-8-18)26-12-14-27(15-13-26)21(29)11-16-31-19-9-5-2-6-10-19/h1-11,16-17H,12-15H2/b16-11+