N-(4-ethyl-3-nitro-phenyl)thian-4-amine

Systemtic Name: N-(4-ethyl-3-nitro-phenyl)thian-4-amine Openeye Name: N-(4-ethyl-3-nitro-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(4-ethyl-3-nitrophenyl)-4-thianamine IUPAC Name: N-(4-ethyl-3-nitrophenyl)thian-4-amine Traditional Name: (4-ethyl-3-nitro-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2CCSCC2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2CCSCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O2S/c1-2-10-3-4-12(9-13(10)15(16)17)14-11-5-7-18-8-6-11/h3-4,9,11,14H,2,5-8H2,1H3