3-isocyano-N-(2-nitroethyl)-1-benzothiophen-2-amine

Systemtic Name: 3-isocyano-N-(2-nitroethyl)-1-benzothiophen-2-amine Openeye Name: 3-isocyano-N-(2-nitroethyl)benzothiophen-2-amine CAS Name: 3-isocyano-N-(2-nitroethyl)-1-benzothiophen-2-amine IUPAC Name: 3-isocyano-N-(2-nitroethyl)-1-benzothiophen-2-amine Traditional Name: (3-isocyanobenzothiophen-2-yl)-(2-nitroethyl)amine Formula: C11H9N3O2S MolecularWeight: 247.27306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(SC2=CC=CC=C21)NCC[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]C1=C(SC2=CC=CC=C21)NCC[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O2S/c1-12-10-8-4-2-3-5-9(8)17-11(10)13-6-7-14(15)16/h2-5,13H,6-7H2