(1E)-3,4,4-tris(chloranyl)-N,N-diethyl-2-nitro-1-phenylsulfanyl-buta-1,3-dien-1-amine

Systemtic Name: (1E)-3,4,4-tris(chloranyl)-N,N-diethyl-2-nitro-1-phenylsulfanyl-buta-1,3-dien-1-amine Openeye Name: (1E)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-phenylsulfanyl-buta-1,3-dien-1-amine CAS Name: (1E)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-(phenylthio)-1-buta-1,3-dienamine IUPAC Name: (1E)-3,4,4-trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine Traditional Name: diethyl-[(1E)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]amine Formula: C14H15Cl3N2O2S MolecularWeight: 381.7051

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC1=CC=CC=C1

Isomeric SMILES

CCN(CC)/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/SC1=CC=CC=C1

InChI

InChI=1S/C14H15Cl3N2O2S/c1-3-18(4-2)14(22-10-8-6-5-7-9-10)12(19(20)21)11(15)13(16)17/h5-9H,3-4H2,1-2H3/b14-12+