4-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]methyl]benzonitrile Formula: C24H24N4O2S2 MolecularWeight: 464.60296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CN=C(C=C3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4O2S2/c25-16-20-6-8-22(9-7-20)19-31-24-11-10-23(17-26-24)32(29,30)28-14-12-27(13-15-28)18-21-4-2-1-3-5-21/h1-11,17H,12-15,18-19H2