2-[2-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylethanenitrile

Systemtic Name: 2-[2-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[(4-benzoyl-1-piperazinyl)-oxomethyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-benzoylpiperazine-1-carbonyl)phenyl]thio]acetonitrile Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H19N3O2S/c21-10-15-26-18-9-5-4-8-17(18)20(25)23-13-11-22(12-14-23)19(24)16-6-2-1-3-7-16/h1-9H,11-15H2