2-[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H20FN5O3S2 MolecularWeight: 485.554303

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20FN5O3S2/c1-32-22-25-15-19(28(22)18-8-6-17(23)7-9-18)21(29)26-10-12-27(13-11-26)33(30,31)20-5-3-2-4-16(20)14-24/h2-9,15H,10-13H2,1H3