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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

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