2-[4-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(2-isopropylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(propan-2-ylthio)-1-benzimidazolyl]methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(2-propan-2-ylsulfanylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[[2-(isopropylthio)benzimidazol-1-yl]methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C22H26N5O2S2+ MolecularWeight: 456.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC(C)SC1=NC2=CC=CC=C2N1C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H25N5O2S2/c1-17(2)30-22-24-19-8-4-5-9-20(19)27(22)16-25-11-13-26(14-12-25)31(28,29)21-10-6-3-7-18(21)15-23/h3-10,17H,11-14,16H2,1-2H3/p+1