N-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]quinolin-8-amine

Systemtic Name: N-[(1Z)-3,4,4-tris(chloranyl)-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]quinolin-8-amine Openeye Name: N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl]quinolin-8-amine CAS Name: N-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]-8-quinolinamine IUPAC Name: N-[(1Z)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]quinolin-8-amine Traditional Name: 8-quinolyl-[(1Z)-3,4,4-trichloro-2-nitro-1-(phenylthio)buta-1,3-dienyl]amine Formula: C19H12Cl3N3O2S MolecularWeight: 452.74148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/NC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C19H12Cl3N3O2S/c20-15(18(21)22)17(25(26)27)19(28-13-8-2-1-3-9-13)24-14-10-4-6-12-7-5-11-23-16(12)14/h1-11,24H/b19-17-