3-nitro-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine

Systemtic Name: 3-nitro-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine Openeye Name: 3-nitro-N-[2-(2-pyridylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine CAS Name: 3-nitro-N-[2-(2-pyridinylmethylthio)ethyl]-1H-pyrrol-2-amine IUPAC Name: 3-nitro-N-[2-(pyridin-2-ylmethylsulfanyl)ethyl]-1H-pyrrol-2-amine Traditional Name: (3-nitro-1H-pyrrol-2-yl)-[2-(2-pyridylmethylthio)ethyl]amine Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c17-16(18)11-4-6-14-12(11)15-7-8-19-9-10-3-1-2-5-13-10/h1-6,14-15H,7-9H2