4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-pyridazin-1-yl]acetyl]benzonitrile CAS Name: 4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxopyridazin-1-yl]acetyl]benzonitrile Traditional Name: 4-[2-[5-(4-fluorophenyl)-6-keto-4-(4-mesylphenyl)pyridazin-1-yl]acetyl]benzonitrile Formula: C26H18FN3O4S MolecularWeight: 487.502223

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(=O)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(=O)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H18FN3O4S/c1-35(33,34)22-12-8-18(9-13-22)23-15-29-30(16-24(31)19-4-2-17(14-28)3-5-19)26(32)25(23)20-6-10-21(27)11-7-20/h2-13,15H,16H2,1H3