(E)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]-2-tosyl-acrylonitrile Formula: C22H15ClN2O4S2 MolecularWeight: 470.9485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)/C#N

InChI

InChI=1S/C22H15ClN2O4S2/c1-15-2-9-20(10-3-15)31(28,29)21(14-24)13-16-12-18(25(26)27)6-11-22(16)30-19-7-4-17(23)5-8-19/h2-13H,1H3/b21-13+