2-(4-azanyl-3-nitro-phenyl)ethanethial

Systemtic Name: 2-(4-azanyl-3-nitro-phenyl)ethanethial Openeye Name: 2-(4-amino-3-nitro-phenyl)ethanethial CAS Name: 2-(4-amino-3-nitrophenyl)ethanethial IUPAC Name: 2-(4-amino-3-nitrophenyl)ethanethial Traditional Name: 2-(4-amino-3-nitro-phenyl)thioacetaldehyde Formula: C8H8N2O2S MolecularWeight: 196.22632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC=S)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1CC=S)[N+](=O)[O-])N

InChI

InChI=1S/C8H8N2O2S/c9-7-2-1-6(3-4-13)5-8(7)10(11)12/h1-2,4-5H,3,9H2