4-[(2E)-5,5-bis(chloranyl)-3-methyl-penta-2,4-dienyl]sulfanyl-2-nitro-aniline

Systemtic Name: 4-[(2E)-5,5-bis(chloranyl)-3-methyl-penta-2,4-dienyl]sulfanyl-2-nitro-aniline Openeye Name: 4-[(2E)-5,5-dichloro-3-methyl-penta-2,4-dienyl]sulfanyl-2-nitro-aniline CAS Name: 4-[[(2E)-5,5-dichloro-3-methylpenta-2,4-dienyl]thio]-2-nitroaniline IUPAC Name: 4-[(2E)-5,5-dichloro-3-methylpenta-2,4-dienyl]sulfanyl-2-nitroaniline Traditional Name: [4-[[(2E)-5,5-dichloro-3-methyl-penta-2,4-dienyl]thio]-2-nitro-phenyl]amine Formula: C12H12Cl2N2O2S MolecularWeight: 319.20688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC1=CC(=C(C=C1)N)[N+](=O)[O-])C=C(Cl)Cl

Isomeric SMILES

C/C(=C\CSC1=CC(=C(C=C1)N)[N+](=O)[O-])/C=C(Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O2S/c1-8(6-12(13)14)4-5-19-9-2-3-10(15)11(7-9)16(17)18/h2-4,6-7H,5,15H2,1H3/b8-4+