[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]benzene

Systemtic Name: [(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]benzene Openeye Name: [(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitro-buta-1,3-dienyl]benzene CAS Name: [(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]benzene IUPAC Name: [(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]benzene Traditional Name: [(1E,3E)-3-besyl-4-(methylthio)-2-nitro-buta-1,3-dienyl]benzene Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CSC=C(C(=CC1=CC=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CS/C=C(\C(=C/C1=CC=CC=C1)\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO4S2/c1-23-13-17(24(21,22)15-10-6-3-7-11-15)16(18(19)20)12-14-8-4-2-5-9-14/h2-13H,1H3/b16-12+,17-13+