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

Systemtic Name: 3-[butyl(phenyl)amino]propanenitrile; sulfuric acid Openeye Name: 3-(N-butylanilino)propanenitrile; sulfuric acid CAS Name: 3-(N-butylanilino)propanenitrile; sulfuric acid IUPAC Name: 3-(N-butylanilino)propanenitrile; sulfuric acid Traditional Name: 3-(N-butylanilino)propionitrile; sulfuric acid Formula: C26H38N4O4S MolecularWeight: 502.66932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H18N2.H2O4S/c2*1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13;1-5(2,3)4/h2*4-6,8-9H,2-3,7,11-12H2,1H3;(H2,1,2,3,4)