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

Systemtic Name: 1-methyl-2-[(1E,3E)-4-methylsulfanyl-2-nitro-3-(phenylsulfonyl)buta-1,3-dienyl]benzene Openeye Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitro-buta-1,3-dienyl]-2-methyl-benzene CAS Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]-2-methylbenzene IUPAC Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]-2-methylbenzene Traditional Name: 1-[(1E,3E)-3-besyl-4-(methylthio)-2-nitro-buta-1,3-dienyl]-2-methyl-benzene Formula: C18H17NO4S2 MolecularWeight: 375.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=CSC)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=C(\C(=C/SC)\S(=O)(=O)C2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C18H17NO4S2/c1-14-8-6-7-9-15(14)12-17(19(20)21)18(13-24-2)25(22,23)16-10-4-3-5-11-16/h3-13H,1-2H3/b17-12+,18-13+