1-[(1E,3E)-4-bromanyl-3,4-bis(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine

Systemtic Name: 1-[(1E,3E)-4-bromanyl-3,4-bis(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine Openeye Name: 1-[(1E,3E)-4-bromo-3,4-dichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]piperidine CAS Name: 1-[(1E,3E)-4-bromo-3,4-dichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]piperidine IUPAC Name: 1-[(1E,3E)-4-bromo-3,4-dichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]piperidine Traditional Name: 1-[(1E,3E)-4-bromo-3,4-dichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]piperidine Formula: C15H15BrCl2N2O2S MolecularWeight: 438.1668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrCl2N2O2S/c16-14(18)12(17)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/b14-12-,15-13+