(E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O5S2/c28-21(18-6-8-19(9-7-18)34(31,32)26-14-1-2-15-26)10-4-17-5-11-22(20(16-17)27(29)30)33-23-24-12-3-13-25-23/h3-13,16H,1-2,14-15H2/b10-4+