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

Systemtic Name: 2-[4-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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