4-[[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-bromophenyl)sulfanylethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-[(4-bromophenyl)thio]-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-bromophenyl)sulfanylacetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(4-bromophenyl)thio]acetyl]piperazino]methyl]benzonitrile Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c21-18-5-7-19(8-6-18)26-15-20(25)24-11-9-23(10-12-24)14-17-3-1-16(13-22)2-4-17/h1-8H,9-12,14-15H2