3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[2-[(4-bromophenyl)thio]ethyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[2-[(4-bromophenyl)thio]ethyl-(2-cyanoethyl)amino]propionitrile Formula: C14H16BrN3S MolecularWeight: 338.26594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCN(CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1SCCN(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