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

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]sulfanylethanenitrile Openeye Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]thio]acetonitrile IUPAC Name: 2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[2-(4-benzylpiperazine-1-carbonyl)phenyl]thio]acetonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H21N3OS/c21-10-15-25-19-9-5-4-8-18(19)20(24)23-13-11-22(12-14-23)16-17-6-2-1-3-7-17/h1-9H,11-16H2