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

Systemtic Name: 2-[4-[2-(thiophen-2-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-thienylmethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[2-(thiophen-2-ylmethylthio)phenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-thenylthio)benzoyl]piperazino]sulfonylbenzonitrile Formula: C23H21N3O3S3 MolecularWeight: 483.62614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2SCC3=CC=CS3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H21N3O3S3/c24-16-18-6-1-4-10-22(18)32(28,29)26-13-11-25(12-14-26)23(27)20-8-2-3-9-21(20)31-17-19-7-5-15-30-19/h1-10,15H,11-14,17H2