N-(2-methoxy-4-nitro-phenyl)thian-4-amine

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)thian-4-amine Openeye Name: N-(2-methoxy-4-nitro-phenyl)tetrahydrothiopyran-4-amine CAS Name: N-(2-methoxy-4-nitrophenyl)-4-thianamine IUPAC Name: N-(2-methoxy-4-nitrophenyl)thian-4-amine Traditional Name: (2-methoxy-4-nitro-phenyl)-tetrahydrothiopyran-4-yl-amine Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2CCSCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC2CCSCC2

InChI

InChI=1S/C12H16N2O3S/c1-17-12-8-10(14(15)16)2-3-11(12)13-9-4-6-18-7-5-9/h2-3,8-9,13H,4-7H2,1H3