N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[3-(2-chloro-4-nitroanilino)propyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[3-(2-chloro-4-nitro-anilino)propyl]-2-(2-pyrimidylthio)acetamide Formula: C15H16ClN5O3S MolecularWeight: 381.83724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H16ClN5O3S/c16-12-9-11(21(23)24)3-4-13(12)17-5-1-6-18-14(22)10-25-15-19-7-2-8-20-15/h2-4,7-9,17H,1,5-6,10H2,(H,18,22)