2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(methylthio)-1-benzimidazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-methylsulfanylbenzimidazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[2-(methylthio)benzimidazol-1-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H21N5O2S2/c1-28-20-22-17-7-3-4-8-18(17)25(20)15-23-10-12-24(13-11-23)29(26,27)19-9-5-2-6-16(19)14-21/h2-9H,10-13,15H2,1H3