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

Systemtic Name: 1-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine Openeye Name: 1-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine CAS Name: 1-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]piperidine IUPAC Name: 1-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]piperidine Traditional Name: 1-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]piperidine Formula: C15H15Cl3N2O2S MolecularWeight: 393.7158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

C1CCN(CC1)/C(=C(\C(=C(Cl)Cl)Cl)/[N+](=O)[O-])/SC2=CC=CC=C2

InChI

InChI=1S/C15H15Cl3N2O2S/c16-12(14(17)18)13(20(21)22)15(19-9-5-2-6-10-19)23-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2/b15-13-