4-[4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-oxo-2-[4-(2-thienylmethyl)piperazin-1-yl]ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-keto-2-[4-(2-thenyl)piperazino]ethoxy]phenyl]benzonitrile Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H23N3O2S/c25-16-19-3-5-20(6-4-19)21-7-9-22(10-8-21)29-18-24(28)27-13-11-26(12-14-27)17-23-2-1-15-30-23/h1-10,15H,11-14,17-18H2