3-[2-cyanoethyl(phenyl)amino]propanenitrile; sulfuric acid

Systemtic Name: 3-[2-cyanoethyl(phenyl)amino]propanenitrile; sulfuric acid Openeye Name: 3-[N-(2-cyanoethyl)anilino]propanenitrile; sulfuric acid CAS Name: 3-[N-(2-cyanoethyl)anilino]propanenitrile; sulfuric acid IUPAC Name: 3-[N-(2-cyanoethyl)anilino]propanenitrile; sulfuric acid Traditional Name: 3-[N-(2-cyanoethyl)anilino]propionitrile; sulfuric acid Formula: C24H28N6O4S MolecularWeight: 496.58192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CCC#N.C1=CC=C(C=C1)N(CCC#N)CCC#N.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CCC#N.C1=CC=C(C=C1)N(CCC#N)CCC#N.OS(=O)(=O)O

InChI

InChI=1S/2C12H13N3.H2O4S/c2*13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12;1-5(2,3)4/h2*1-3,6-7H,4-5,10-11H2;(H2,1,2,3,4)