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

Systemtic Name: 1-methoxy-4-[(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]-4-methoxy-benzene CAS Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-(methylthio)-2-nitrobuta-1,3-dienyl]-4-methoxybenzene IUPAC Name: 1-[(1E,3E)-3-(benzenesulfonyl)-4-methylsulfanyl-2-nitrobuta-1,3-dienyl]-4-methoxybenzene Traditional Name: 1-[(1E,3E)-3-besyl-4-(methylthio)-2-nitro-buta-1,3-dienyl]-4-methoxy-benzene Formula: C18H17NO5S2 MolecularWeight: 391.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(=CSC)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C(=C/SC)\S(=O)(=O)C2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S2/c1-24-15-10-8-14(9-11-15)12-17(19(20)21)18(13-25-2)26(22,23)16-6-4-3-5-7-16/h3-13H,1-2H3/b17-12+,18-13+