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

Systemtic Name: 3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile; ethanedioic acid Openeye Name: 3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile; oxalic acid CAS Name: 3-[2-[(4-bromophenyl)thio]ethyl-(2-cyanoethyl)amino]propanenitrile; oxalic acid IUPAC Name: 3-[2-(4-bromophenyl)sulfanylethyl-(2-cyanoethyl)amino]propanenitrile; oxalic acid Traditional Name: 3-[2-[(4-bromophenyl)thio]ethyl-(2-cyanoethyl)amino]propionitrile; oxalic acid Formula: C16H18BrN3O4S MolecularWeight: 428.30082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCN(CCC#N)CCC#N)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1SCCN(CCC#N)CCC#N)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H16BrN3S.C2H2O4/c15-13-3-5-14(6-4-13)19-12-11-18(9-1-7-16)10-2-8-17;3-1(4)2(5)6/h3-6H,1-2,9-12H2;(H,3,4)(H,5,6)