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

Systemtic Name: (E)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-[2-(4-chlorophenyl)sulfanyl-5-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-besyl-3-[2-[(4-chlorophenyl)thio]-5-nitro-phenyl]acrylonitrile Formula: C21H13ClN2O4S2 MolecularWeight: 456.92192

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Descriptors Computed from Structure

Canonical SMILES:

C1=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

C1=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/C21H13ClN2O4S2/c22-16-6-9-18(10-7-16)29-21-11-8-17(24(25)26)12-15(21)13-20(14-23)30(27,28)19-4-2-1-3-5-19/h1-13H/b20-13+