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

Systemtic Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-3-nitrophenyl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-methyl-3-nitrophenyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-methyl-3-nitro-phenyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C20H14N4O5S MolecularWeight: 422.41396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5S/c1-13-3-6-15(12-16(13)23(26)27)18(25)7-4-14-5-8-19(17(11-14)24(28)29)30-20-21-9-2-10-22-20/h2-12H,1H3/b7-4+