4-[[4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-thienylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(thiophen-2-ylmethylthio)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-thenylthio)benzoyl]piperazino]methyl]benzonitrile Formula: C24H23N3OS2 MolecularWeight: 433.58892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3SCC4=CC=CS4

InChI

InChI=1S/C24H23N3OS2/c25-16-19-7-9-20(10-8-19)17-26-11-13-27(14-12-26)24(28)22-5-1-2-6-23(22)30-18-21-4-3-15-29-21/h1-10,15H,11-14,17-18H2