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

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methoxyphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methoxyphenyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methoxyphenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-methoxyphenyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S/c1-27-16-7-5-15(6-8-16)18(24)9-3-14-4-10-19(17(13-14)23(25)26)28-20-21-11-2-12-22-20/h2-13H,1H3/b9-3+