4-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]-3-fluoro-benzonitrile CAS Name: 4-[4-[(4-chlorophenyl)thio]-1-(4-fluorophenyl)-3-pyrazolyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(4-chlorophenyl)sulfanyl-1-(4-fluorophenyl)pyrazol-3-yl]-3-fluorobenzonitrile Traditional Name: 4-[4-[(4-chlorophenyl)thio]-1-(4-fluorophenyl)pyrazol-3-yl]-3-fluoro-benzonitrile Formula: C22H12ClF2N3S MolecularWeight: 423.865586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C(=N2)C3=C(C=C(C=C3)C#N)F)SC4=CC=C(C=C4)Cl)F

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C(=N2)C3=C(C=C(C=C3)C#N)F)SC4=CC=C(C=C4)Cl)F

InChI

InChI=1S/C22H12ClF2N3S/c23-15-2-8-18(9-3-15)29-21-13-28(17-6-4-16(24)5-7-17)27-22(21)19-10-1-14(12-26)11-20(19)25/h1-11,13H