4-[4-[4-(2-methylsulfanylimidazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-(2-methylsulfanylimidazol-1-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(2-methylsulfanylimidazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-[2-(methylthio)-1-imidazolyl]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(2-methylsulfanylimidazol-1-yl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-[2-(methylthio)imidazol-1-yl]benzoyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CSC1=NC=CN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N5O3S2/c1-31-22-24-10-11-27(22)19-6-4-18(5-7-19)21(28)25-12-14-26(15-13-25)32(29,30)20-8-2-17(16-23)3-9-20/h2-11H,12-15H2,1H3