(E)-2-(4-bromophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-bromophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-bromophenyl)sulfonyl-3-[5-nitro-2-(2-pyridylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(4-bromophenyl)sulfonyl-3-[5-nitro-2-(2-pyridinylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-bromophenyl)sulfonyl-3-(5-nitro-2-pyridin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-brosyl-3-[5-nitro-2-(2-pyridylthio)phenyl]acrylonitrile Formula: C20H12BrN3O4S2 MolecularWeight: 502.36098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12BrN3O4S2/c21-15-4-7-17(8-5-15)30(27,28)18(13-22)12-14-11-16(24(25)26)6-9-19(14)29-20-3-1-2-10-23-20/h1-12H/b18-12+