(E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(2,4-dichlorophenyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2,4-dichlorophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(2,4-dichlorophenyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C19H11Cl2N3O3S MolecularWeight: 432.27994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)/C=C/C(=O)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H11Cl2N3O3S/c20-13-4-5-14(15(21)11-13)17(25)6-2-12-3-7-18(16(10-12)24(26)27)28-19-22-8-1-9-23-19/h1-11H/b6-2+