4-[[4-[4,5-bis(bromanyl)thiophen-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4,5-bis(bromanyl)thiophen-2-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4,5-dibromo-2-thiophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4,5-dibromothiophene-2-carbonyl)piperazino]methyl]benzonitrile Formula: C17H15Br2N3OS MolecularWeight: 469.1935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C17H15Br2N3OS/c18-14-9-15(24-16(14)19)17(23)22-7-5-21(6-8-22)11-13-3-1-12(10-20)2-4-13/h1-4,9H,5-8,11H2