2-(4-bromophenyl)sulfanylethyl-bis(2-cyanoethyl)azanium

Systemtic Name: 2-(4-bromophenyl)sulfanylethyl-bis(2-cyanoethyl)azanium Openeye Name: 2-(4-bromophenyl)sulfanylethyl-bis(2-cyanoethyl)ammonium CAS Name: 2-[(4-bromophenyl)thio]ethyl-bis(2-cyanoethyl)ammonium IUPAC Name: 2-(4-bromophenyl)sulfanylethyl-bis(2-cyanoethyl)azanium Traditional Name: 2-[(4-bromophenyl)thio]ethyl-bis(2-cyanoethyl)ammonium Formula: C14H17BrN3S+ MolecularWeight: 339.27388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC[NH+](CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1SCC[NH+](CCC#N)CCC#N)Br

InChI

InChI=1S/C14H16BrN3S/c15-13-3-5-14(6-4-13)19-12-11-18(9-1-7-16)10-2-8-17/h3-6H,1-2,9-12H2/p+1