4-[[4-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(1,3-dithiolan-2-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(1,3-dithiolan-2-yl)benzoyl]piperazino]methyl]benzonitrile Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H23N3OS2/c23-15-17-1-3-18(4-2-17)16-24-9-11-25(12-10-24)21(26)19-5-7-20(8-6-19)22-27-13-14-28-22/h1-8,22H,9-14,16H2