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

Systemtic Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C19H13N3O3S MolecularWeight: 363.38982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O3S/c23-17(15-5-2-1-3-6-15)9-7-14-8-10-18(16(13-14)22(24)25)26-19-20-11-4-12-21-19/h1-13H/b9-7+