N-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]cyclopropanamine

Systemtic Name: N-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]cyclopropanamine Openeye Name: N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]cyclopropanamine CAS Name: N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]cyclopropanamine IUPAC Name: N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]cyclopropanamine Traditional Name: cyclopropyl-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]amine Formula: C13H11Cl3N2O2S MolecularWeight: 365.66264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C1CC1N/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SC2=CC=CC=C2

InChI

InChI=1S/C13H11Cl3N2O2S/c14-10(12(15)16)11(18(19)20)13(17-8-6-7-8)21-9-4-2-1-3-5-9/h1-5,8,17H,6-7H2/b13-11-