2-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]methyl]benzonitrile IUPAC Name: 2-[[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[2-keto-2-(4-phenylpiperazino)ethyl]thio]methyl]benzonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSCC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSCC3=CC=CC=C3C#N

InChI

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