2-[[2-chloranyl-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-chloranyl-4-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(4-benzylpiperazine-1-carbothioyl)-2-chloro-phenoxy]methyl]benzonitrile CAS Name: 2-[[2-chloro-4-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(4-benzylpiperazine-1-carbothioyl)-2-chlorophenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(4-benzylpiperazine-1-carbothioyl)-2-chloro-phenoxy]methyl]benzonitrile Formula: C26H24ClN3OS MolecularWeight: 462.00626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Cl

InChI

InChI=1S/C26H24ClN3OS/c27-24-16-21(10-11-25(24)31-19-23-9-5-4-8-22(23)17-28)26(32)30-14-12-29(13-15-30)18-20-6-2-1-3-7-20/h1-11,16H,12-15,18-19H2