2-[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[3-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[3-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[3-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenyl]-5-nitro-isoindoline-1,3-quinone Formula: C24H16N2O5S MolecularWeight: 444.45924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O5S/c1-32-19-9-5-15(6-10-19)7-12-22(27)16-3-2-4-17(13-16)25-23(28)20-11-8-18(26(30)31)14-21(20)24(25)29/h2-14H,1H3/b12-7+