5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one

Systemtic Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Openeye Name: 5-(4-chlorophenyl)-2-[(E)-cinnamyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one CAS Name: 5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2-[(E)-3-phenylprop-2-enyl]-3-pyridazinone IUPAC Name: 5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one Traditional Name: 5-(4-chlorophenyl)-2-[(E)-cinnamyl]-6-[4-(methylthio)phenyl]pyridazin-3-one Formula: C26H21ClN2OS MolecularWeight: 444.97574

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)CC=CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2C3=CC=C(C=C3)Cl)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H21ClN2OS/c1-31-23-15-11-21(12-16-23)26-24(20-9-13-22(27)14-10-20)18-25(30)29(28-26)17-5-8-19-6-3-2-4-7-19/h2-16,18H,17H2,1H3/b8-5+